<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">122509</id>
  <title nil="true"/>
  <common-name>3-(Heptafluoropropyl)pentane-1,5-diol</common-name>
  <description>3-(Heptafluoropropyl)pentane-1,5-diol is an organic compound with the chemical formula C8H11F7O2 and an average molecular weight of 272.16 g/mol. 3-(Heptafluoropropyl)pentane-1,5-diol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds.

The compound is found in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. It is also found in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is utilized as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, with one further sector recorded. Recorded routes of exposure for this substance include oral, inhalation, and touch.</description>
  <cas>678-93-3</cas>
  <pubchem-id>71367627</pubchem-id>
  <chemical-formula>C8H11F7O2</chemical-formula>
  <weight>272.16</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">2026-04-06T05:49:28Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:15:28Z</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>OCCC(CCO)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C8H11F7O2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H11F7O2/c9-6(10,5(1-3-16)2-4-17)7(11,12)8(13,14)15/h5,16-17H,1-4H2</moldb-inchi>
  <moldb-inchikey>UAAOSQWHVBRSMT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">272.163</moldb-average-mass>
  <moldb-mono-mass type="decimal">272.0647271</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</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>CHEM118402</chemdb-id>
  <dsstox-id>DTXSID30790740</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00109902</susdat-id>
  <iupac>3-(Heptafluoropropyl)pentane-1,5-diol</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Alcohols and polyols</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0138330</sync-id>
  <structure-inchikey>UAAOSQWHVBRSMT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000100000800000002000000000000000000000000002000000000000000000000000000000000000000000000000000000000000004000000000000000000000014000000000004000000000000000000000000000001000000000000000010000000000000000000200000000010000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000002000000000000040000000000000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000800000000000004000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`������� ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ����	� ������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:45:45Z</structure-indexed-at>
</compound>
