Consensus flow list

Identity

Type
NeutralMolecule
CAS
421-14-7
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
63 across every transformer

Structure

Structure diagram for Methyl Trifluoromethyl Ether

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JRHMNRMPVRXNOS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3
IUPAC name chemrof:IUPAC_name Methyl Trifluoromethyl Ether, trifluoro(methoxy)methane, tris(fluoranyl)-methoxy-methane
Molecular formula chemrof:molecular_formula C2H3F3O
Molecular mass chemrof:molecular_mass 100.039
Monoisotopic mass chemrof:monoisotopic_mass 100.013599
SMILES string chemrof:smiles_string COC(F)(F)F

Known URLs

5

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=421-14-7 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5073903 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J665.420G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73947 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q66084479 enrich_references.pubchem_identifier_url

Elementary flows

16
Flow Context Source Unit CFs
9308d824-e251-11e6-bf01-fe55135034f3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
341eab87-065e-40a8-87f4-87d78776999b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
9308d9b4-e251-11e6-bf01-fe55135034f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6ad38d57-385e-4cd7-8c2f-fad75b9a185f Environmental → Air → Long-term EF 3.1 kg 0
9308d5e0-e251-11e6-bf01-fe55135034f3 Environmental → Air → Long-term EF 3.1 kg 2
9308d8f6-e251-11e6-bf01-fe55135034f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bf80615e-1c05-4274-aac2-78f4c0fcd390 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
5a24f510-a2be-4ff7-b0f2-d90884572b90 Environmental → Air → Unknown EF 3.1 kg 0
9308ce4c-e251-11e6-bf01-fe55135034f3 Environmental → Air → Unknown EF 3.1 kg 2
6d06f38b-b806-4c70-8f08-53fb7247ced8 Environmental → Ground → Agricultural EF 3.1 kg 0
042139ee-957c-4b70-89f8-01bab82f3778 Environmental → Ground → Non-agricultural EF 3.1 kg 0
6f0b617c-9d45-4f82-bb0f-d728cb54ea39 Environmental → Ground → Unknown EF 3.1 kg 0
4f47060c-6ba6-4644-9ecc-959b9e37f5c8 Environmental → Water → Long-term EF 3.1 kg 0
a8a362fd-7c1b-48dd-bd7d-0fd0e21ab147 Environmental → Water → Ocean EF 3.1 kg 0
348e5b41-e9f4-4be5-ab11-f3c6d4292039 Environmental → Water → Surface water EF 3.1 kg 0
c0e525ea-8421-4203-b26c-a07730d8470e Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (63 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-48ed32f86342331a",
  "prefLabel": [
    {
      "@value": "Methyl Trifluoromethyl Ether",
      "@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": "HFE-143a",
      "@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/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C2H3F3O"
      ],
      "attested_by": {
        "C2H3F3O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:73947"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JRHMNRMPVRXNOS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "JRHMNRMPVRXNOS-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:73947"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "COC(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methyl Trifluoromethyl Ether"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ],
      "attested_by": {
        "COC(F)(F)F": [
          "opsin_iupac",
          "rdkit_post_consensus",
          "enrich_references.pubchem_semantic"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methyl Trifluoromethyl Ether"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
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      ],
      "attested_by": {
        "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3": [
          "opsin_iupac",
          "rdkit_post_consensus",
          "enrich_references.pubchem_semantic"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Methyl Trifluoromethyl Ether",
        "trifluoro(methoxy)methane",
        "tris(fluoranyl)-methoxy-methane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Methyl Trifluoromethyl Ether",
          "CID:73947"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      },
      "attested_by": {
        "Methyl Trifluoromethyl Ether": [
          "opsin_iupac"
        ],
        "trifluoro(methoxy)methane": [
          "enrich_references.pubchem_semantic"
        ],
        "tris(fluoranyl)-methoxy-methane": [
          "enrich_references.pubchem_semantic"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        100.039
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "100.039": [
          "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": [
        100.013599
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(F)(F)F"
          ]
        }
      ],
      "attested_by": {
        "100.013599": [
          "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=J665.420G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=421-14-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "421-14-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5073903",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[421-14-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q66084479",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[421-14-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "042139ee-957c-4b70-89f8-01bab82f3778",
    "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": [
        "421-14-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=421-14-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=421-14-7"
        }
      ],
      "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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