<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">121931</id>
  <title nil="true"/>
  <common-name>1-Amino-4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonan-2-ol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>42614466</pubchem-id>
  <chemical-formula>C10H8F15NO</chemical-formula>
  <weight>443.15</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">2026-04-06T05:13:59Z</created-at>
  <updated-at type="dateTime">2026-08-18T05:17:31Z</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>NCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C10H8F15NO</moldb-formula>
  <moldb-inchi>InChI=1/C10H8F15NO/c11-4(12,1-3(27)2-26)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3,27H,1-2,26H2</moldb-inchi>
  <moldb-inchikey>JPAVGZWMFGAFCC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">443.156</moldb-average-mass>
  <moldb-mono-mass type="decimal">443.0366372</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</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>CHEM117824</chemdb-id>
  <dsstox-id>DTXSID00896349</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00109050</susdat-id>
  <iupac>1-Amino-4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonan-2-ol</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0107135</sync-id>
  <structure-inchikey>JPAVGZWMFGAFCC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000100000800000002000000000000000000000000000100000000000000000000000000000000040000000000000000000000000000002008004000000000000000000000000000000000000000000000000000000000000000000000000010000400000000000000000000000000000000000080400000000000000000804000000000000000000000000001000000000000000000000010000000000000000020000000000000002000000000000040000000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000040000040000800000000000000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`������� ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ������ ����	� ����	� ����	� ������ ����	� ����	� ����	� ������������������������������	��
������������������������������������������������B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:45:13Z</structure-indexed-at>
</compound>
