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2,2,3,3,3-Pentafluoropropyl Methyl Ether

2D structure
Flow Object IDfo-9a2e409c8256ba30
TypeConsensus
prefLabel
Label Language
2,2,3,3,3-Pentafluoropropyl Methyl Ether en
CAS Numbers 378-16-5
Changes Applied11

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow0b93e1f4-34e0-4291-8027-c935fc420cbc

Properties

Predicate Value
InChIKey NOPJRYAFUXTDLX-UHFFFAOYSA-N, ZYAMKYAPIQPWQR-UHFFFAOYSA-N
InChI InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3
IUPAC name 2,2,3,3,3-Pentafluoropropyl Methyl Ether
Molecular formula C4H3F7O, C4H5F5O
Molecular mass 164.073, 200.053
Monoisotopic mass 164.026056, 200.007212
SMILES COCC(F)(F)C(F)(F)F

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
4eead42f… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
ea3de8fe… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
5298c09a… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
d4aae984… EF 3.1 kg Environmental → Air → Unknown 0 1
ebb52e91… EF 3.1 kg Environmental → Ground → Agricultural 0 1
2fcd1c99… EF 3.1 kg Environmental → Ground → Unknown 0 1
471c3260… EF 3.1 kg Environmental → Water → Ocean 0 1
0b93e1f4… EF 3.1 kg Environmental → Water → Surface water 0 1
33b8d4aa… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0b93e1f4… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
2fcd1c99… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
33b8d4aa… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
471c3260… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
4eead42f… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
5298c09a… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
777cc00e… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
d4aae984… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
ea3de8fe… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
ebb52e91… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}
fac7c13d… cas_match_labels — {"378-16-5":"exactMatch"} group_key=2,2,3,3,3-pentafluoropropylmethylether||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['pubchem']; cas_sources={'378-16-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9a2e409c8256ba30: {'378-16-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-9a2e409c8256ba30",
  "prefLabel": [
    {
      "@value": "2,2,3,3,3-Pentafluoropropyl Methyl Ether",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H3F7O",
        "C4H5F5O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:2774943",
            "CID:2776015"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NOPJRYAFUXTDLX-UHFFFAOYSA-N",
        "ZYAMKYAPIQPWQR-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COCC(F)(F)C(F)(F)F"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
            "2,2,3,3,3-Pentafluoropropyl Methyl Ether"
          ]
        },
        {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2,2,3,3,3-Pentafluoropropyl Methyl Ether"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2,2,3,3,3-Pentafluoropropyl Methyl Ether"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,2,3,3,3-Pentafluoropropyl Methyl Ether"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "164.073",
        "200.053"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(C(C(F)(F)F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "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": [
        "164.026056",
        "200.007212"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC(C(C(F)(F)F)(F)F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "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=J106.093G",
      "provenance": {
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        "prov:hadPrimarySource": [
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  "created_from": {
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    "seed_uuid": "0b93e1f4-34e0-4291-8027-c935fc420cbc",
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  "origin_qualifier": null,
  "parent_flow_object_id": null
}