Brightway Flows 1.0
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Bromodifluoropropane

fo-7a75765bf33e1ffc

Identity

Type
Neutral molecule
CAS
—
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
45 across every transformer

Structure

Structure diagram for Bromodifluoropropane

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WSECXBNDYYTSGU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H5BrF2/c1-3(5,6)2-4/h2H2,1H3
IUPAC name chemrof:IUPAC_name Bromodifluoropropane
Molecular formula chemrof:molecular_formula C3H5BrF2
Molecular mass chemrof:molecular_mass 158.973
Monoisotopic mass chemrof:monoisotopic_mass 157.954269
SMILES string chemrof:smiles_string CC(F)(F)CBr

Elementary flows

12
Flow Context Source Unit CFs
d86bc590-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
fe0acd60-3ddc-11dd-a0e3-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a0e2-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a0e4-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-a0e1-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
d86b9e68-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
d86bec8c-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
d86c13b1-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
d86c3ace-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
d86c1392-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
d86bc570-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
d86c3ab1-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (45 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7a75765bf33e1ffc",
  "prefLabel": [
    {
      "@value": "Bromodifluoropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Propane, bromodifluoro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "carry_member_names",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "source_flow_name"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Bromodifluoropropane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "Bromodifluoropropane"
        ]
      },
      "attested_by": {
        "Bromodifluoropropane": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(F)(F)CBr"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Bromodifluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(F)(F)CBr"
          ]
        }
      ],
      "attested_by": {
        "CC(F)(F)CBr": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H5BrF2/c1-3(5,6)2-4/h2H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Bromodifluoropropane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(F)(F)CBr"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C3H5BrF2/c1-3(5,6)2-4/h2H2,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "WSECXBNDYYTSGU-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CC(F)(F)CBr"
        ]
      },
      "attested_by": {
        "WSECXBNDYYTSGU-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C3H5BrF2"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CC(F)(F)CBr"
        ]
      },
      "attested_by": {
        "C3H5BrF2": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        158.973
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CC(F)(F)CBr"
        ]
      },
      "attested_by": {
        "158.973": [
          "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": [
        157.954269
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CC(F)(F)CBr"
        ]
      },
      "attested_by": {
        "157.954269": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "d86b9e68-6555-11dd-ad8b-0800200c9a66",
    "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": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {},
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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