Consensus flow list

Identity

Type
Neutral molecule
CAS
76-19-7
EC
200-941-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
80 across every transformer

Structure

Structure diagram for Perfluoropropane

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QYSGYZVSCZSLHT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11
IUPAC name chemrof:IUPAC_name Perfluoropropane, 1,1,1,2,2,3,3,3-octafluoropropane
Molecular formula chemrof:molecular_formula C3F8
Molecular mass chemrof:molecular_mass 188.017
Monoisotopic mass chemrof:monoisotopic_mass 187.987226, 187.98723
SMILES string chemrof:smiles_string FC(F)(F)C(F)(F)C(F)(F)F

Known URLs

28

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
beilstein beilstein:1704032 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=69878-14-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=76-19-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31980 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.857 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9052503 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB00556 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2104 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2104 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1663 enrich_references.pubchem_identifier_url
gmelin gmelin:83079 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CK0N3WH0SR enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0014696 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J353K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D01738 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D01738 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54478 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47664 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61105 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C74071 enrich_references.pubchem_identifier_url
pharmgkb.org https://www.pharmgkb.org/chemical/PA164781354 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1663 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6432 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2424 enrich_references.pubchem_identifier_url
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/283753 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q412659 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72437021 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Octafluoropropane enrich_references.pubchem_identifier_url

Elementary flows

16
Flow Context Source Unit CFs
e2fadda3-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
a19c03c0-e251-11e6-bf01-fe55135034f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a19bffce-e251-11e6-bf01-fe55135034f3 Environmental → Air → Long-term EF 3.1 kg 2
a19c02e4-e251-11e6-bf01-fe55135034f3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a19bff06-e251-11e6-bf01-fe55135034f3 Environmental → Air → Unknown EF 3.1 kg 2
e2fadda1-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
e2fadda4-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
e2fadda6-6555-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
e2fadda8-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
e2fadda5-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
e2fadda2-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
e2fadda7-6555-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0
08a91e70-3ddc-11dd-986e-0050c2490048 deprecated Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-986d-0050c2490048 deprecated Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-986f-0050c2490048 deprecated Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
08a91e70-3ddc-11dd-986c-0050c2490048 deprecated Environmental → Air → Unknown EF 3.1 kg 0

History

Everything that changed this substance (80 changes)

Open the changes page

Full record

Flow object JSON
{
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  "prefLabel": [
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  ],
  "altLabel": [
    {
      "@value": "1,1,1,2,2,3,3,3-octafluoropropane",
      "@language": "en",
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    {
      "@value": "Definity",
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    },
    {
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    },
    {
      "@value": "Genetron 218",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
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    {
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    },
    {
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    },
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    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Propane, octafluoro-",
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  "properties": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": {
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      },
      "attested_by": {
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        ]
      }
    }
  },
  "references": [
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