<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123748</id>
  <title nil="true"/>
  <common-name>N-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)cyclopentanecarboxamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>102431398</pubchem-id>
  <chemical-formula>C10H10F9NO3S</chemical-formula>
  <weight>395.24</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">2026-04-06T07:06:33Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:15:55Z</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)S(=O)(=O)NC(=O)C1CCCC1</moldb-smiles>
  <moldb-formula>C10H10F9NO3S</moldb-formula>
  <moldb-inchi>InChI=1S/C10H10F9NO3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)24(22,23)20-6(21)5-3-1-2-4-5/h5H,1-4H2,(H,20,21)</moldb-inchi>
  <moldb-inchikey>FLLDEJHRVFMCRU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">395.24</moldb-average-mass>
  <moldb-mono-mass type="decimal">395.0237682</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM119641</chemdb-id>
  <dsstox-id>DTXSID80896201</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00111797</susdat-id>
  <iupac>N-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)cyclopentanecarboxamide</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 acids and derivatives</superklass>
  <klass>Organic sulfonic acids and derivatives</klass>
  <subklass>Organosulfonic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0118968</sync-id>
  <structure-inchikey>FLLDEJHRVFMCRU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000000002000000000000010000000000000000000000000000000001000000000020000000000000000000000000000000000000000000000100000000000000000001000000020000000004000080000000000000000000000010000000000000000000220000008020000000000020040000000100800000000000000000000004000000080000000000200000000000000000010000000000004000000000000000002000000000000040000080000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000400800000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ������(�������(�������h��������(�������(�������`�������`�������`�������`�������`�������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:46:51Z</structure-indexed-at>
</compound>
