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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:48 UTC
Update Date2025-03-25 00:58:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230518
Frequency0.5
Structure
Chemical FormulaC13H16F3NO
Molecular Mass259.1184
SMILESCN1CCCC1c1ccc(C(O)C(F)(F)F)cc1
InChI KeyBQXGDTOHZMRJRS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • aralkylamines
  • aromatic alcohols
  • azacyclic compounds
  • benzene and substituted derivatives
  • fluorohydrins
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organofluorides
  • organopnictogen compounds
  • pyrroles
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • fluorohydrin
  • organohalogen compound
  • aralkylamine
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • 2-phenylpyrrolidine
  • tertiary aliphatic amine
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound