<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">14574</id>
  <title nil="true"/>
  <common-name>1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-Heptatriacontafluoro-20-iodoicosane</common-name>
  <description nil="true"/>
  <cas>65104-63-4</cas>
  <pubchem-id>103200</pubchem-id>
  <chemical-formula>C20H4F37I</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">2016-05-19T04:13:08Z</created-at>
  <updated-at type="dateTime">2026-03-31T19:57:15Z</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(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)C(F)(F)CCI</moldb-smiles>
  <moldb-formula>C20H4F37I</moldb-formula>
  <moldb-inchi>InChI=1S/C20H4F37I/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h1-2H2</moldb-inchi>
  <moldb-inchikey>ZVYZCXJEWPRVAQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1074.097</moldb-average-mass>
  <moldb-mono-mass type="decimal">1073.87669</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>93210</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>CHEM013469</chemdb-id>
  <dsstox-id>DTXSID2070217</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>PubChem</stoff-ident-origin>
  <stoff-ident-id>SI00005111</stoff-ident-id>
  <susdat-id>NS00011027</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>0.0</moldb-polar-surface-area>
  <moldb-refractivity>108.80240000000009</moldb-refractivity>
  <moldb-polarizability>48.906581050047706</moldb-polarizability>
  <moldb-rotatable-bond-count>19</moldb-rotatable-bond-count>
  <moldb-acceptor-count>0</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>6.10</moldb-alogps-logp>
  <moldb-alogps-logs>-4.63</moldb-alogps-logs>
  <moldb-alogps-solubility>2.54e-02 g/l</moldb-alogps-solubility>
</compound>
