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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:08 UTC
Update Date2025-03-25 00:54:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203833
Frequency0.5
Structure
Chemical FormulaC6H8F3NO2
Molecular Mass183.0507
SMILESOC1=NCCCC1(O)C(F)(F)F
InChI KeyVWTVVDQSJGKPMH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • cyclic carboximidic acids
  • fluorohydrins
  • hydrocarbon derivatives
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • azacycle
  • halohydrin
  • alkyl fluoride
  • organofluoride
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • fluorohydrin
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • tertiary alcohol
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound