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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:35 UTC
Update Date2025-03-25 01:01:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248448
Frequency0.5
Structure
Chemical FormulaC10H9F3N2
Molecular Mass214.0718
SMILESFC(F)(F)c1ccc(C2=NCCN2)cc1
InChI KeyXYDNTALWFYHWQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass trifluoromethylbenzenes
Direct Parent trifluoromethylbenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • amidines
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • imidazolines
  • imidolactams
  • organofluorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • alkyl fluoride
  • organofluoride
  • organic 1,3-dipolar compound
  • amidine
  • carboximidamide
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • 2-imidazoline
  • imidazoline
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • trifluoromethylbenzene
  • organoheterocyclic compound