2,2,3,3,3-Pentafluoropropan-1-ol

1,1-Dihydropentafluoropropanol
1,1-Dihydroperfluoropropanol
1-Propanol, 2,2,3,3,3-pentafluoro-
1H,1H-Pentafluoro-1-propanol
1H,1H-Perfluoropropanol
2,2,3,3,3-Pentafluoro-1-propanol
2,2,3,3,3-Pentafluoropropanol
3,3,3,2,2-Pentafluoropropan-1-ol
pentafluoro-1-propanol

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PSQZJKGXDGNDFP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
IUPAC name chemrof:IUPAC_name	1-Propanol, 2,2,3,3,3-pentafluoro-, 2,2,3,3,3-Pentafluoropropan-1-ol
Molecular formula chemrof:molecular_formula	C3H3F5O
Molecular mass chemrof:molecular_mass	150.046
Monoisotopic mass chemrof:monoisotopic_mass	150.010406
SMILES string chemrof:smiles_string	OCC(F)(F)C(F)(F)F

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=422-05-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.006.376	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4059966	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66413	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4457653	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EPJ1S961SN	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0245341	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.131A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/9872	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27277290	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
04209589-6556-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	0
7d124d8e-e251-11e6-bf01-fe55135034f3	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7d124794-e251-11e6-bf01-fe55135034f3	Environmental → Air → Long-term	EF 3.1	kg	2
7d124938-e251-11e6-bf01-fe55135034f3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
7d1245fa-e251-11e6-bf01-fe55135034f3	Environmental → Air → Unknown	EF 3.1	kg	2
04209587-6556-11dd-ad8b-0800200c9a66	Environmental → Ground → Agricultural	EF 3.1	kg	0
0420bc70-6556-11dd-ad8b-0800200c9a66	Environmental → Ground → Non-agricultural	EF 3.1	kg	0
0d792960-6556-11dd-ad8b-0800200c9a66	Environmental → Ground → Unknown	EF 3.1	kg	0
0d792962-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Long-term	EF 3.1	kg	0
0420bc71-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Ocean	EF 3.1	kg	0
04209588-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Surface water	EF 3.1	kg	0
0d792961-6556-11dd-ad8b-0800200c9a66	Environmental → Water → Unknown	EF 3.1	kg	0
4d9a8790-3ddd-11dd-99b4-0050c2490048 deprecated	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	0
4d9a8790-3ddd-11dd-99b3-0050c2490048 deprecated	Environmental → Air → Long-term	EF 3.1	kg	0
4d9a8790-3ddd-11dd-99b5-0050c2490048 deprecated	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	0
4d9a8790-3ddd-11dd-99b2-0050c2490048 deprecated	Environmental → Air → Unknown	EF 3.1	kg	0

Everything that changed this substance (74 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-f3ac0f842abf5525",
  "prefLabel": [
    {
      "@value": "2,2,3,3,3-Pentafluoropropan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1-Dihydropentafluoropropanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422-05-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1-Dihydroperfluoropropanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422-05-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanol, 2,2,3,3,3-pentafluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422-05-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H-Pentafluoro-1-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422-05-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H,1H-Perfluoropropanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422-05-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,3,3,3-Pentafluoro-1-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422-05-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2,3,3,3-Pentafluoropropanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422-05-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3,3,2,2-Pentafluoropropan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:422-05-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "pentafluoro-1-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "carry_member_names",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "source_flow_name"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H3F5O"
      ],
      "attested_by": {
        "C3H3F5O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:9872"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCC(F)(F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "PSQZJKGXDGNDFP-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "PSQZJKGXDGNDFP-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:9872"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCC(F)(F)C(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "OCC(F)(F)C(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1-Propanol, 2,2,3,3,3-pentafluoro-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCC(F)(F)C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,3,3,3-Pentafluoropropan-1-ol"
          ]
        }
      ],
      "attested_by": {
        "OCC(F)(F)C(F)(F)F": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1-Propanol, 2,2,3,3,3-pentafluoro-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCC(F)(F)C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,3,3,3-Pentafluoropropan-1-ol"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1-Propanol, 2,2,3,3,3-pentafluoro-",
        "2,2,3,3,3-Pentafluoropropan-1-ol"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1-Propanol, 2,2,3,3,3-pentafluoro-",
          "2,2,3,3,3-Pentafluoropropan-1-ol"
        ]
      },
      "attested_by": {
        "1-Propanol, 2,2,3,3,3-pentafluoro-": [
          "opsin_iupac"
        ],
        "2,2,3,3,3-Pentafluoropropan-1-ol": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        150.046
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(C(F)(F)F)(F)F)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCC(F)(F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "150.046": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        150.010406
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(C(C(F)(F)F)(F)F)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "OCC(F)(F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "150.010406": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.131A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422-05-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.006.376",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422-05-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=422-05-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "422-05-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID4059966",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422-05-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66413",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422-05-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EPJ1S961SN",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422-05-9]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0245341",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422-05-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/9872",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[422-05-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4457653",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422-05-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27277290",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:9872;CAS:422-05-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[422-05-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "04209587-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "422-05-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=422-05-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "207-012-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=207-012-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

2,2,3,3,3-Pentafluoropropan-1-ol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard