Brightway Flows 1.0
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HFE-245fa1

fo-418982698c9c1646

Identity

Type
Neutral molecule
CAS
1885-48-9
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
46 across every transformer

Structure

Structure diagram for HFE-245fa1

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZASBKNPRLPFSCA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2
IUPAC name chemrof:IUPAC_name 2,2,2-Trifluoroethyl difluoromethyl ether
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 FC(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=1885-48-9 enrich_references.consensus_cas_link

Elementary flows

11
Flow Context Source Unit CFs
803c3138-1012-4f2d-b3f8-778659edd179 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0ae2591d-3926-47d9-87d8-a00e69bce669 Environmental → Air → Long-term EF 3.1 kg 2
46463b20-91f6-4ac4-9cf6-f17d7cf0c275 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d48a82e9-4ffa-4b61-b593-71ec5ae5715d Environmental → Air → Unknown EF 3.1 kg 2
9b5f0e33-68cf-4026-8ccc-dcc689dda8a2 Environmental → Ground → Agricultural EF 3.1 kg 0
3b45acb1-f229-4647-b19a-08fa499494b8 Environmental → Ground → Non-agricultural EF 3.1 kg 0
b8d41e2e-3fc1-486d-935c-3753c3a9a545 Environmental → Ground → Unknown EF 3.1 kg 0
d55598d1-eb13-4571-a56c-e08e3720df8a Environmental → Water → Long-term EF 3.1 kg 0
1259974e-85db-48b9-8dcb-e8e384f1fd87 Environmental → Water → Ocean EF 3.1 kg 0
c19aaa61-1d20-4e37-ab6c-d7c3d8e04cd2 Environmental → Water → Surface water EF 3.1 kg 0
7c68a28b-6440-4e3b-bd65-eb258f790b0f 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-418982698c9c1646",
  "prefLabel": [
    {
      "@value": "HFE-245fa1",
      "@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, difluoromethyl 2,2,2-trifluoroethyl-, HFE-245fa1",
      "@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-Trifluoroethyl difluoromethyl ether"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,2,2-Trifluoroethyl difluoromethyl ether"
        ]
      },
      "attested_by": {
        "2,2,2-Trifluoroethyl difluoromethyl ether": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "FC(F)OCC(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,2-Trifluoroethyl difluoromethyl ether"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)OCC(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "FC(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/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,2-Trifluoroethyl difluoromethyl ether"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "FC(F)OCC(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/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": [
        "ZASBKNPRLPFSCA-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(F)OCC(F)(F)F"
        ]
      },
      "attested_by": {
        "ZASBKNPRLPFSCA-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C3H3F5O"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(F)OCC(F)(F)F"
        ]
      },
      "attested_by": {
        "C3H3F5O": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        150.046
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(F)OCC(F)(F)F"
        ]
      },
      "attested_by": {
        "150.046": [
          "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": [
        150.010406
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "FC(F)OCC(F)(F)F"
        ]
      },
      "attested_by": {
        "150.010406": [
          "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=1885-48-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1885-48-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0ae2591d-3926-47d9-87d8-a00e69bce669",
    "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": [
        "1885-48-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1885-48-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1885-48-9"
        }
      ],
      "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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