<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">14578</id>
  <title nil="true"/>
  <common-name>3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-Tritriacontafluorooctadecan-1-ol</common-name>
  <description nil="true"/>
  <cas>65104-67-8</cas>
  <pubchem-id>103202</pubchem-id>
  <chemical-formula>C18H5F33O</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">2016-05-19T04:13:10Z</created-at>
  <updated-at type="dateTime">2026-03-31T19:51:35Z</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(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C18H5F33O</moldb-formula>
  <moldb-inchi>InChI=1S/C18H5F33O/c19-3(20,1-2-52)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51/h52H,1-2H2</moldb-inchi>
  <moldb-inchikey>UYSGWTCETIRUHO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">864.184</moldb-average-mass>
  <moldb-mono-mass type="decimal">863.98134416</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>93212</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>CHEM013473</chemdb-id>
  <dsstox-id>DTXSID6070221</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>chemicalize.org</stoff-ident-origin>
  <stoff-ident-id>SI00005113</stoff-ident-id>
  <susdat-id>NS00010930</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>20.23</moldb-polar-surface-area>
  <moldb-refractivity>88.18320000000007</moldb-refractivity>
  <moldb-polarizability>40.12345424359198</moldb-polarizability>
  <moldb-rotatable-bond-count>17</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>15.763865248861187</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.464685340148116</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>5.61</moldb-alogps-logp>
  <moldb-alogps-logs>-4.29</moldb-alogps-logs>
  <moldb-alogps-solubility>4.43e-02 g/l</moldb-alogps-solubility>
</compound>
