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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:00 UTC
Update Date2025-03-21 18:36:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112737
Frequency23.5
Structure
Chemical FormulaC5H6F3N
Molecular Mass137.0452
SMILESFC(F)(F)C1=NCCC1
InChI KeyPTARIZTZVFEFBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • hydrocarbon derivatives
  • ketimines
  • organofluorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • azacycle
  • imine
  • alkyl fluoride
  • organofluoride
  • organic 1,3-dipolar compound
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound