Brightway Flows 1.0
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HFE-263fb2

fo-938ce61e6e5a71a1

Identity

Type
Neutral molecule
CAS
460-43-5
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
44 across every transformer

Structure

Structure diagram for HFE-263fb2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OHLVGBXMHDWRRX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3
IUPAC name chemrof:IUPAC_name 1,1,1-trifluoro-2-methoxy-ethane, 1,1,1-trifluoro-2-methoxyethane, 1,1,1-tris(fluoranyl)-2-methoxy-ethane
Molecular formula chemrof:molecular_formula C3H5F3O
Molecular mass chemrof:molecular_mass 114.066
Monoisotopic mass chemrof:monoisotopic_mass 114.029249
SMILES string chemrof:smiles_string COCC(F)(F)F

Known URLs

6

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=460-43-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.202.874 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9074569 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J625.985E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/136304 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q66084485 enrich_references.pubchem_identifier_url

Elementary flows

11
Flow Context Source Unit CFs
65066d2b-7d00-4a48-9844-9c5bc087ec9f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
be1b2d31-a119-4290-9100-5097c5afcbd3 Environmental → Air → Long-term EF 3.1 kg 2
80a40ecc-9e96-4172-bfb5-e0dd77302617 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d49e41d5-c94e-4312-9d68-77c869314ec6 Environmental → Air → Unknown EF 3.1 kg 2
052a1c6a-367a-4ab6-8483-d4f05a9dfb13 Environmental → Ground → Agricultural EF 3.1 kg 0
2aff8a6b-4c06-40e8-8a35-ef00d2a2bb44 Environmental → Ground → Non-agricultural EF 3.1 kg 0
da30a19a-d9dc-45c5-b909-67325ce055e4 Environmental → Ground → Unknown EF 3.1 kg 0
ad9be0fa-8e97-477d-b5a3-fb7bdabc6e00 Environmental → Water → Long-term EF 3.1 kg 0
c8758922-cfef-44e6-948a-78768194eb7a Environmental → Water → Ocean EF 3.1 kg 0
38bd3bc7-71c8-4ed9-81f2-bac17462708f Environmental → Water → Surface water EF 3.1 kg 0
28f9ee4b-dfa0-48fb-8a7b-69589556401b Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (44 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-938ce61e6e5a71a1",
  "prefLabel": [
    {
      "@value": "HFE-263fb2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H5F3O"
      ],
      "attested_by": {
        "C3H5F3O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OHLVGBXMHDWRRX-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "OHLVGBXMHDWRRX-UHFFFAOYSA-N": [
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        {
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
        "COCC(F)(F)F"
      ],
      "attested_by": {
        "COCC(F)(F)F": [
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        ]
      },
      "rdfs:label": "SMILES",
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        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3"
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,1,1-trifluoro-2-methoxy-ethane",
        "1,1,1-trifluoro-2-methoxyethane",
        "1,1,1-tris(fluoranyl)-2-methoxy-ethane"
      ],
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        ],
        "1,1,1-trifluoro-2-methoxyethane": [
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        ],
        "1,1,1-tris(fluoranyl)-2-methoxy-ethane": [
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        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:136304"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "114.066": [
          "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": [
        114.029249
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COCC(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "114.029249": [
          "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=J625.985E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "pubchem.identifiers[460-43-5]"
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[460-43-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=460-43-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "460-43-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9074569",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.identifiers[460-43-5]"
      }
    },
    {
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      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[460-43-5]"
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    },
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[460-43-5]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "052a1c6a-367a-4ab6-8483-d4f05a9dfb13",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "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": [
        "460-43-5"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=460-43-5"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=460-43-5"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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