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HFE-347mcf2

fo-8030cf1856cc974d

Identity

Type
Neutral molecule
CAS
406-78-0
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
46 across every transformer

Structure

Structure diagram for HFE-347mcf2

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CWIFAKBLLXGZIC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
IUPAC name chemrof:IUPAC_name (2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane
Molecular formula chemrof:molecular_formula C4H3F7O
Molecular mass chemrof:molecular_mass 200.053
Monoisotopic mass chemrof:monoisotopic_mass 200.007212
SMILES string chemrof:smiles_string FC(F)C(F)(F)OCC(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=406-78-0 enrich_references.consensus_cas_link

Elementary flows

11
Flow Context Source Unit CFs
969be915-6f88-4456-a743-eb086af646ff Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1dcc1117-b50f-4360-960d-93fb0da37578 Environmental → Air → Long-term EF 3.1 kg 2
1c7a923b-3c42-42cc-a215-323eddab3086 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
32c5fb61-5302-4a87-aea6-b2cba8deca69 Environmental → Air → Unknown EF 3.1 kg 2
65e2550d-4ba5-4b44-b6d4-434bbb384064 Environmental → Ground → Agricultural EF 3.1 kg 0
cfe117fc-01c6-4981-9558-f9b09f821842 Environmental → Ground → Non-agricultural EF 3.1 kg 0
c5c989f1-371f-46d3-86c7-0f5f3cb07f1e Environmental → Ground → Unknown EF 3.1 kg 0
9016d67e-6544-4b95-a988-58403ef96b10 Environmental → Water → Long-term EF 3.1 kg 0
0309ea9d-2171-461c-a71c-b2f94192d586 Environmental → Water → Ocean EF 3.1 kg 0
843588ea-8064-40fc-bda3-4d92cc7b3519 Environmental → Water → Surface water EF 3.1 kg 0
dbc38dbe-22d5-46c6-b213-c5d25874afbc Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (46 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8030cf1856cc974d",
  "prefLabel": [
    {
      "@value": "HFE-347mcf2",
      "@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, 1,1,2,2-Tetrafluoroethyl 2,2,2-trifluoroethyl-, HFE-347mcf2",
      "@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": [
        "(2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "(2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane"
        ]
      },
      "attested_by": {
        "(2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)C(F)(F)OCC(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "(2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)C(F)(F)OCC(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "FC(F)C(F)(F)OCC(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/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "(2,2,2-Trifluoroethoxy)-1,1,2,2-tetrafluoroethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)C(F)(F)OCC(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "CWIFAKBLLXGZIC-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(F)C(F)(F)OCC(F)(F)F"
        ]
      },
      "attested_by": {
        "CWIFAKBLLXGZIC-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C4H3F7O"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(F)C(F)(F)OCC(F)(F)F"
        ]
      },
      "attested_by": {
        "C4H3F7O": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        200.053
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(F)C(F)(F)OCC(F)(F)F"
        ]
      },
      "attested_by": {
        "200.053": [
          "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": [
        200.007212
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(F)C(F)(F)OCC(F)(F)F"
        ]
      },
      "attested_by": {
        "200.007212": [
          "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=406-78-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "406-78-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0309ea9d-2171-461c-a71c-b2f94192d586",
    "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": [
        "406-78-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=406-78-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=406-78-0"
        }
      ],
      "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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