<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">44464</id>
  <title nil="true"/>
  <common-name>2H-perfluoro-2-octenoic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>129411141</pubchem-id>
  <chemical-formula>C8H2F12O2</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-06-03T10:50:55Z</created-at>
  <updated-at type="dateTime">2026-03-26T18:29:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H]\C(C(O)=O)=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C8H2F12O2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H2F12O2/c9-2(1-3(21)22)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1H,(H,21,22)/b2-1+</moldb-inchi>
  <moldb-inchikey>BKOBFLVYTXYFQZ-OWOJBTEDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">358.083</moldb-average-mass>
  <moldb-mono-mass type="decimal">357.98631726</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>28290257</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM043359</chemdb-id>
  <dsstox-id>DTXSID30891463</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id>SI00002252</stoff-ident-id>
  <susdat-id>NS00000372</susdat-id>
  <iupac>(2E)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-enoic acid</iupac>
</compound>
