Brightway Flows 1.0
GitHub

HFE-347pcf2

fo-260c09d148ac1432

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-347pcf2

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
fc76b46f-9031-4f29-8221-c772f7ee8425 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
333bc0ac-7438-4901-a0f9-bae7062579b2 Environmental → Air → Long-term EF 3.1 kg 2
4b60721a-b0b9-47b7-82f3-d4728b2e3db3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
feb5d5b4-6bdb-4927-85a9-e0263dbaf764 Environmental → Air → Unknown EF 3.1 kg 2
2c78bc9a-179f-47a4-a279-61c3b96cb01e Environmental → Ground → Agricultural EF 3.1 kg 0
c9407c39-34f1-4bb0-8c86-e944afb83391 Environmental → Ground → Non-agricultural EF 3.1 kg 0
7671c2ca-107f-4515-8335-f8658445b7a3 Environmental → Ground → Unknown EF 3.1 kg 0
66856cee-43f6-421a-85b3-baf12e0975a4 Environmental → Water → Long-term EF 3.1 kg 0
df866db1-b50a-4ab8-9984-f4aa8ee825f3 Environmental → Water → Ocean EF 3.1 kg 0
8686d7e8-4f60-41b9-8b54-c9cbec86a3c8 Environmental → Water → Surface water EF 3.1 kg 0
6879c462-76cb-4a02-a686-801042fa4a93 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-260c09d148ac1432",
  "prefLabel": [
    {
      "@value": "HFE-347pcf2",
      "@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-347pcf2",
      "@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": "2c78bc9a-179f-47a4-a279-61c3b96cb01e",
    "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"
  ]
}

Something wrong here?

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

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close