<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">122024</id>
  <title nil="true"/>
  <common-name>2,2,3,3,4,4,4-Heptafluoro-N-methylbutan-1-amine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>19711031</pubchem-id>
  <chemical-formula>C5H6F7N</chemical-formula>
  <weight>213.1</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">2026-04-06T05:18:49Z</created-at>
  <updated-at type="dateTime">2026-08-23T00:13:45Z</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>CNCC(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C5H6F7N</moldb-formula>
  <moldb-inchi>InChI=1S/C5H6F7N/c1-13-2-3(6,7)4(8,9)5(10,11)12/h13H,2H2,1H3</moldb-inchi>
  <moldb-inchikey>XODUVTJXUOOAKV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">213.099</moldb-average-mass>
  <moldb-mono-mass type="decimal">213.0388467</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</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>CHEM117917</chemdb-id>
  <dsstox-id>DTXSID10599394</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00109179</susdat-id>
  <iupac>2,2,3,3,4,4,4-Heptafluoro-N-methylbutan-1-amine</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>CED0151246</sync-id>
  <structure-inchikey>XODUVTJXUOOAKV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000800000002000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000010000000000000000000000200000000000000000000000000000040000000000840000000000000000000000080000000000000000000000000000000000000000000000000000000000002000000020000040000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000010000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>100440008102820080020260000820000000140001052000002000428020004c44000050118000000100110800c0000004200200008c12010000443900a04200851104001000040044901040026202020800848051201e3240040460400208040e2000030148020040000008d8900000248080100101c0041118004002100002004000080c500200080402000808000818040012440014020000080400000080008300000000400000000840012c611002c0000281010800108002100c40020aa00000a4049000020480008014110280000100100300500005000000080000009004081000008000000000011010208000100410004000001100100052000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������`�������`������� ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ����	� ������������������������������	�	
�	��	��B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:45:19Z</structure-indexed-at>
</compound>
