Consensus flow list

Identity

Type
Neutral molecule
CAS
306-94-5
EC
206-192-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
51 across every transformer

Structure

Structure diagram for Perfluorodecalin

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UWEYRJFJVCLAGH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16
IUPAC name chemrof:IUPAC_name Perfluorodecalin
Molecular formula chemrof:molecular_formula C10F18
Molecular mass chemrof:molecular_mass 462.074
Monoisotopic mass chemrof:monoisotopic_mass 461.971258, 461.97126
SMILES string chemrof:smiles_string FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F

Known URLs

27

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:2067113 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=306-94-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38848 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.631 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.196.839 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0046511 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201015480 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID801021518 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB16292 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2103 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2103 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=97066 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1371129 enrich_references.pubchem_identifier_url
gmelin gmelin:1438536 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54A06VV62N enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256315 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J374.602J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.089J enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J791.509H enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08338 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C90817 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9386 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/19682704 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22006656 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/2462501 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q413677 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Perfluorodecalin enrich_references.chebi_xrefs

Elementary flows

11
Flow Context Source Unit CFs
ed01c4cf-6553-4b63-8624-ce6c4cbfc6d1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a3a72656-b242-42e2-8e09-c5e62b475f87 Environmental → Air → Long-term EF 3.1 kg 2
bcf39e6e-2e75-4ea9-865f-66f8042e0367 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
edff3392-136e-458c-945e-0e1e8545cda1 Environmental → Air → Unknown EF 3.1 kg 2
fa2a8392-7cd6-4277-8aae-6e0b3d38fe63 Environmental → Ground → Agricultural EF 3.1 kg 0
c207d7bf-9abc-479d-8e18-ea93d3545407 Environmental → Ground → Non-agricultural EF 3.1 kg 0
dddb508e-b0f4-40c8-accd-6998170c8fb5 Environmental → Ground → Unknown EF 3.1 kg 0
80d6f424-da89-4156-b038-99d00ebe45e8 Environmental → Water → Long-term EF 3.1 kg 0
c7962af0-db74-4436-9db3-25c792fd53fd Environmental → Water → Ocean EF 3.1 kg 0
0bdc9c0f-5f4c-46b6-88c5-d55b80b89e3d Environmental → Water → Surface water EF 3.1 kg 0
67dd765e-dc43-4d45-8655-fdfd37afb307 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (51 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c3f26f898c51c72b",
  "prefLabel": [
    {
      "@value": "Perfluorodecalin",
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  ],
  "altLabel": [
    {
      "@value": "1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecahydronaphthalene",
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    },
    {
      "@value": "1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-Octadecafluoronaphthalene",
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    },
    {
      "@value": "decahydrooctadecafluoronaphthalene",
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    },
    {
      "@value": "Decalin perfluoride",
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    {
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    },
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      "@value": "Perflunafene",
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    },
    {
      "@value": "PFC-9-1-18",
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