<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123226</id>
  <title nil="true"/>
  <common-name>1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-Hexadecafluoronon-2-ene</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>76545608</pubchem-id>
  <chemical-formula>C9H2F16</chemical-formula>
  <weight>414.09</weight>
  <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">2026-04-06T06:35:42Z</created-at>
  <updated-at type="dateTime">2026-08-25T16:11:21Z</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>FC(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C9H2F16</moldb-formula>
  <moldb-inchi>InChI=1S/C9H2F16/c10-3(11,1-2-4(12,13)14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1-2H</moldb-inchi>
  <moldb-inchikey>SXSREXZPYXYIST-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">414.089</moldb-average-mass>
  <moldb-mono-mass type="decimal">413.9901016</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM119119</chemdb-id>
  <dsstox-id>DTXSID60895338</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00111033</susdat-id>
  <iupac>1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-Hexadecafluoronon-2-ene</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organohalogen compounds</superklass>
  <klass>Organofluorides</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0114210</sync-id>
  <structure-inchikey>SXSREXZPYXYIST-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000002000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000200000008000000008000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000040000000000000000000000001000000000000000000000040001000000000000100000000000000000020000000000000000000000000000000000800000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>70044040853282208802036181a8a008900014128187a010803000428a204a4c440200101180040c8102510840c9200005200204408e1251000c6d3980a04204c711948010800400809010401af322020804c48051211e364004446240020a078eb06423016c120040800088dd940000348092520109c086114a244102100807104410080ef0a20808060240482c02a819144a1244421e0240000ca0424003840391109111b0c20000004860016c65140ac1000289490880109002900c40021aa60010a48492020a1c8024a07715828108210014232070010d10040028000200902c4d34188880250104240110162080021016348042040e13101200d2020002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�	� ������ ����	� ����	� ������h��������h�������� ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ����	� �������������������������������	�	
�	��	�������������������������������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:46:27Z</structure-indexed-at>
</compound>
