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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:24 UTC
Update Date2025-03-25 00:47:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161074
Frequency0.5
Structure
Chemical FormulaC3H6ClF2NO
Molecular Mass145.0106
SMILESNCC(O)C(F)(F)Cl
InChI KeyUJACQSDVMJHUFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classhalohydrins
Subclass chlorohydrins
Direct Parent chlorohydrins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • alkyl fluorides
  • fluorohydrins
  • hydrocarbon derivatives
  • monoalkylamines
  • organochlorides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • chlorohydrin
  • alkyl fluoride
  • organofluoride
  • alkyl chloride
  • organochloride
  • fluorohydrin
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound