Brightway Flows 1.0
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HFE-356pcf2

fo-e8920dbd20de6d02

Identity

Type
Neutral molecule
CAS
382-34-3
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
45 across every transformer

Structure

Structure diagram for HFE-356pcf2

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PKMXTDVNDDDCSY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3
IUPAC name chemrof:IUPAC_name 1,1,1,2,3,3-Hexafluoro-3-methoxypropane
Molecular formula chemrof:molecular_formula C4H4F6O
Molecular mass chemrof:molecular_mass 182.063
Monoisotopic mass chemrof:monoisotopic_mass 182.016634
SMILES string chemrof:smiles_string COC(F)(F)C(F)C(F)(F)F

Known URLs

1

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=382-34-3 enrich_references.consensus_cas_link

Elementary flows

11
Flow Context Source Unit CFs
a8e37397-5bb3-4d53-83b4-848d147b693f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8e667412-32a4-4429-991a-670fe411cbb0 Environmental → Air → Long-term EF 3.1 kg 2
314bffaf-14b9-4fea-927d-4f89bdc88f68 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
84ef3c41-adce-4661-b1cf-6c6bd7efcd45 Environmental → Air → Unknown EF 3.1 kg 2
9aefc2c1-0bc5-4beb-abc0-fac75be5037e Environmental → Ground → Agricultural EF 3.1 kg 0
ef7130e0-eeb2-41a0-9ba9-177b8f38e487 Environmental → Ground → Non-agricultural EF 3.1 kg 0
afdac7cf-0331-414d-822d-2bbe84598f21 Environmental → Ground → Unknown EF 3.1 kg 0
35c99d3b-f7a3-4ecf-8bae-1e4519204964 Environmental → Water → Long-term EF 3.1 kg 0
23d11c8b-023c-4c98-992a-06c7516e3610 Environmental → Water → Ocean EF 3.1 kg 0
f24647f7-9798-4d47-9bef-099ecbcd6fee Environmental → Water → Surface water EF 3.1 kg 0
b6239e6e-9b7c-45cc-ab0f-e09f567f89fa Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (45 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e8920dbd20de6d02",
  "prefLabel": [
    {
      "@value": "HFE-356pcf2",
      "@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": "Ether, 1,1,2,3,3,3-Hexafluoropropyl methyl-, HFE-356pcf2",
      "@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/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "1,1,1,2,3,3-Hexafluoro-3-methoxypropane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1,1,1,2,3,3-Hexafluoro-3-methoxypropane"
        ]
      },
      "attested_by": {
        "1,1,1,2,3,3-Hexafluoro-3-methoxypropane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COC(F)(F)C(F)C(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1,1,2,3,3-Hexafluoro-3-methoxypropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)C(F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "COC(F)(F)C(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/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "1,1,1,2,3,3-Hexafluoro-3-methoxypropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)C(F)C(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "PKMXTDVNDDDCSY-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "COC(F)(F)C(F)C(F)(F)F"
        ]
      },
      "attested_by": {
        "PKMXTDVNDDDCSY-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C4H4F6O"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "COC(F)(F)C(F)C(F)(F)F"
        ]
      },
      "attested_by": {
        "C4H4F6O": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        182.063
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "COC(F)(F)C(F)C(F)(F)F"
        ]
      },
      "attested_by": {
        "182.063": [
          "rdkit_post_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": [
        182.016634
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "COC(F)(F)C(F)C(F)(F)F"
        ]
      },
      "attested_by": {
        "182.016634": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=382-34-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "382-34-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "23d11c8b-023c-4c98-992a-06c7516e3610",
    "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": [
        "382-34-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=382-34-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=382-34-3"
        }
      ],
      "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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