Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:35:14 UTC
Update Date2025-03-21 17:56:54 UTC
HMDB IDHMDB0014118
Metabolite Identification
DeepMet IDDMID00004410
NameTrifluoroacetic acid
Frequency1276.7
Structure
Chemical FormulaC2HF3O2
Molecular Mass113.9929
SMILESO=C(O)C(F)(F)F
InChI KeyDTQVDTLACAAQTR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-halocarboxylic acids and derivatives
Direct Parent alpha-halocarboxylic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl fluoride
  • organofluoride
  • alpha-halocarboxylic acid
  • organohalogen compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound