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CHEBI:747857 - 3,4,5-trifluorophenylalanine

Default Structure
ChEBI IDCHEBI:747857
ChEBI Name3,4,5-trifluorophenylalanine
Stars
DefinitionPhenylalanine derivative 3,4,5-trifluorophenylalanine. Non-canonical amino acid (ncAA) with utility as an NMR probe and cation-pi interaction probe.
Last Modified6 June 2026
SubmitterEnzoB
DownloadsMolfile
FormulaC9H8F3NO2
Net Charge0
Average Mass219.162
Monoisotopic Mass219.05071
SMILES[H]OC(=O)[C@]([H])(N([H])[H])C([H])([H])c1c([H])c(F)c(F)c(F)c1[H]
InChIInChI=1S/C9H8F3NO2/c10-5-1-4(2-6(11)8(5)12)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15)/t7-/m1/s1
InChIKeySFKCVRLOYOHGFK-SSDOTTSWSA-N
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trifluorophenylalanine (CHEBI:747857) is a organic molecular entity (CHEBI:50860)
Synonym  Source
(2S)-2-amino-3-(3,4,5-trifluorophenyl)propanoic acidCAS
Registry NumbersSources
CAS:646066-73-1PubChem Compound