<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">315867</id>
  <title nil="true"/>
  <common-name>Trimethyl-[4-[4,5,5,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pent-2-enyl]phenyl]azanium</common-name>
  <description>Trimethyl-[4-[4,5,5,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pent-2-enyl]phenyl]azanium is a chemical compound with the formula C19H15F17N+. With an average molecular weight of 580.30 g/mol, Trimethyl-[4-[4,5,5,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pent-2-enyl]phenyl]azanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>162396488</pubchem-id>
  <chemical-formula>C19H15F17N+</chemical-formula>
  <weight>580.3</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">2026-08-29T13:23:05Z</created-at>
  <updated-at type="dateTime">2026-08-29T13:23:05Z</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>C[N+](C)(C)C1=CC=C(C=C1)CC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C19H15F17N+</moldb-formula>
  <moldb-inchi>InChI=1S/C19H15F17N/c1-37(2,3)10-6-4-9(5-7-10)8-11(15(22,23)24)12(13(20,16(25,26)27)17(28,29)30)14(21,18(31,32)33)19(34,35)36/h4-7H,8H2,1-3H3/q+1</moldb-inchi>
  <moldb-inchikey>VNTNATPOTOVXJS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">580.0933032</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.6</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>CHEM311760</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Trimethyl-[4-[4,5,5,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pent-2-enyl]phenyl]azanium</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0266712</sync-id>
  <structure-inchikey>VNTNATPOTOVXJS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000800000003000000000000800000000000100000000000000000000000200040000000000000000000002800000000000000000200000000000000000000000000010000008000010000000000000000000000000000000000000010000000000000000080000000040000000000000000000000000000400000040002800000000000000000000000000000000000000000000000000000000000008000000000000080000000800000000040000000000000000000000000000000000000000000400000000000000000000000000000220010000000000000000000000000040000000000000800000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������%���%���€���`������ "�������`�������`������@(������@h�������@h�������@(������@h�������@h��������`�������(�������(������� ������ ����	� ����	� ����	� ������ ����	� ����	� ����	� ����	� ������ ������ ����	� ����	� ����	� ������ ����	� ����	� ����	� ����	� ������ ����	� ����	� ����	� �������������������h���h���h���h��	h��
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  <structure-indexed-at type="dateTime">2026-09-19T05:22:01Z</structure-indexed-at>
</compound>
