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CHEBI:747858 - 3,5-difluorophenylalanine

Default Structure
ChEBI IDCHEBI:747858
ChEBI Name3,5-difluorophenylalanine
Stars
DefinitionPhenylalanine derivative 3,5-difluorophenylalanine. Non-canonical amino acid (ncAA) with utility as an NMR probe and cation-pi interaction probe.
Last Modified6 June 2026
SubmitterEnzoB
DownloadsMolfile
FormulaC9H9F2NO2
Net Charge0
Average Mass201.172
Monoisotopic Mass201.06013
SMILESN[C@H](Cc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m1/s1
InChIKeyQFGMPXZFCIHYIR-MRVPVSSYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-difluorophenylalanine (CHEBI:747858) is a phenylalanine derivative (CHEBI:25985)
Synonyms  Source
(2S)-2-amino-3-(3,5-difluorophenyl)propanoic acidPubChem Compound
3,5-difluoro-l-phenylalaninePubChem Compound
Registry NumbersSources
CAS:31105-91-6PubChem Compound