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1-Propanol, 3,3,3-trifluoro-bis-2,2-(trifluoromethyl)-

Flow Object IDfo-799e9dd2801ac589
TypeConsensus
prefLabel
Label Language
1-Propanol, 3,3,3-trifluoro-bis-2,2-(trifluoromethyl)- en
Alt Labels
Label Language Provenance
HFE-7100 en —
CAS Numbers14117-17-0
Changes Applied12

Properties

Predicate Value
InChIKey IOOVIIUXHLMNFE-UHFFFAOYSA-N
InChI InChI=1S/C5H3F9O/c6-3(7,8)2(1-15,4(9,10)11)5(12,13)14/h15H,1H2
IUPAC name 3,3,3-trifluoro-2,2-bis(trifluoromethyl)-1-propanol, 3,3,3-trifluoro-2,2-bis(trifluoromethyl)propan-1-ol, 3,3,3-tris(fluoranyl)-2,2-bis(trifluoromethyl)propan-1-ol
Molecular formula C5H3F9O
SMILES C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
64b1f561… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
fe0acd60… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
fe0acd60… EF 3.1 kg Environmental → Air → Unknown 0 1
64b1f55f… EF 3.1 kg Environmental → Ground → Agricultural 0 1
64b1f562… EF 3.1 kg Environmental → Ground → Unknown 0 1
64b1f563… EF 3.1 kg Environmental → Water → Ocean 0 1
64b1f560… EF 3.1 kg Environmental → Water → Surface water 0 1
64b1f565… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
64b1f55f… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
64b1f560… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
64b1f561… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
64b1f562… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
64b1f563… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
64b1f564… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
64b1f565… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
64b1f566… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
fe0acd60… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
fe0acd60… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
fe0acd60… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}
fe0acd60… cas_match_labels — {"14117-17-0":"exactMatch"} group_key=hfe-7100||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'14117-17-0': []}; assigned CAS labels from group consensus; object_uuid=fo-799e9dd2801ac589: {'14117-17-0': 'exactMatch'}

Flow Object JSON

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  "flow_object_id": "fo-799e9dd2801ac589",
  "prefLabel": [
    {
      "@value": "1-Propanol, 3,3,3-trifluoro-bis-2,2-(trifluoromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
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        "prov:wasDerivedFrom": "altLabel"
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    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H3F9O"
      ],
      "rdfs:label": "Molecular formula",
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "IOOVIIUXHLMNFE-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)O"
      ],
      "rdfs:label": "SMILES",
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C5H3F9O/c6-3(7,8)2(1-15,4(9,10)11)5(12,13)14/h15H,1H2"
      ],
      "rdfs:label": "InChI",
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3,3,3-trifluoro-2,2-bis(trifluoromethyl)-1-propanol",
        "3,3,3-trifluoro-2,2-bis(trifluoromethyl)propan-1-ol",
        "3,3,3-tris(fluoranyl)-2,2-bis(trifluoromethyl)propan-1-ol"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
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  "references": [
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      "@id": "https://commonchemistry.cas.org/detail?cas_rn=14117-17-0",
      "provenance": {
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    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[14117-17-0]"
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    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/139688",
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        "prov:wasDerivedFrom": "pubchem.by_cas[14117-17-0]"
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    },
    {
      "@id": "https://www.wikidata.org/wiki/Q81985460",
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      }
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "64b1f55f-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "14117-17-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=14117-17-0"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=14117-17-0"
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  "origin_qualifier": null,
  "parent_flow_object_id": null
}