<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">66164</id>
  <title nil="true"/>
  <common-name>5H-Perfluoropentanal</common-name>
  <description nil="true"/>
  <cas>2648-47-7</cas>
  <pubchem-id>542849</pubchem-id>
  <chemical-formula>C5H2F8O1</chemical-formula>
  <weight>230.06</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">2026-04-03T05:29:56Z</created-at>
  <updated-at type="dateTime">2026-08-22T21:36:25Z</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)C(F)(F)C(F)(F)C(F)(F)C=O</moldb-smiles>
  <moldb-formula>C5H2F8O1</moldb-formula>
  <moldb-inchi>InChI=1S/C5H2F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h1-2H</moldb-inchi>
  <moldb-inchikey>BQFRALWVZATVGY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">230.057</moldb-average-mass>
  <moldb-mono-mass type="decimal">229.99779</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>472717</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>CHEM062057</chemdb-id>
  <dsstox-id>DTXSID20337466</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00018882</susdat-id>
  <iupac>2,2,3,3,4,4,5,5-octafluoropentanal</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">2</paper-count>
  <sync-id>CED0052894</sync-id>
  <structure-inchikey>BQFRALWVZATVGY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000000002000000000000000000000000000000000000000000000000000000000008000080000000000000000000000000000000000000000000000004008000000000000000020000000000200000000000000000000000000000000000000000000000000000000000000000000000000000800000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000040000000080000000000000000000000000000000000000010000400000000000000000000000000000000000000000000000000000010000000000800000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>700440008102860080020260010820001000140001052000003000428220404c44000010118000000100110800c0000004200200408c12010008453900a04200851504041000040000941040126202020800848051201e3240040462400208040e2000030148020040000088c8900000248080100001c0041108044002100002004000080e50020808040200080800081804001244401602000008000040008000d100000020400000000840012c611002c0000281010800108002100c40020aa00000a4049000020480008014110280000100100300500005000000280000009024091000000020000000011010208000100410004000001100100052000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€�	� ������`�����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������h��������(�������������������������������	�	
�	��	�����B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:16:45Z</structure-indexed-at>
</compound>
