<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123269</id>
  <title nil="true"/>
  <common-name>2-(Henicosafluorodecyl)-1H-imidazole</common-name>
  <description>2-(Henicosafluorodecyl)-1H-imidazole belongs to the imidazoles, a subclass of azoles within the organic compounds. With an average molecular weight of 586.15 g/mol, 2-(Henicosafluorodecyl)-1H-imidazole is a heavy molecule. It is characterized by the chemical formula C13H3F21N2 and is classified as an organoheterocyclic compound.

The compound is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, batteries, wires and cables, printed circuit boards, and one additional source. Within the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is used as lubricants in the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector, along with one further sector. Recorded exposure routes for this compound include inhalation, oral exposure, and touch.</description>
  <cas>81769-51-9</cas>
  <pubchem-id>575911</pubchem-id>
  <chemical-formula>C13H3F21N2</chemical-formula>
  <weight>586.14</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">2026-04-06T06:38:32Z</created-at>
  <updated-at type="dateTime">2026-08-28T03:37:26Z</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)C1=NC=CN1</moldb-smiles>
  <moldb-formula>C13H3F21N2</moldb-formula>
  <moldb-inchi>InChI=1S/C13H3F21N2/c14-4(15,3-35-1-2-36-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2H,(H,35,36)</moldb-inchi>
  <moldb-inchikey>VKBLMPJLEYTODL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">586.147</moldb-average-mass>
  <moldb-mono-mass type="decimal">585.9960907</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7</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>CHEM119162</chemdb-id>
  <dsstox-id>DTXSID60895954</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00111080</susdat-id>
  <iupac>2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-1H-imidazole</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>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Imidazoles</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0134513</sync-id>
  <structure-inchikey>VKBLMPJLEYTODL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000020000000000000000000000000000000000000000100000000000000010000000020000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000200000000000000000002000000080000000008000800000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000800020008000000000c0000000000002000000000020000000000000000000000000200000000000000000000000000000000000000000000000000002040000000000000800001000000000000100000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���$���€�	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� �����@(������@(������@h�������@h�������@8��������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:46:29Z</structure-indexed-at>
</compound>
