3,5-Difluorophenylalanine

C9H9F2NO2CAS 32133-37-2201.17 g/mol

Open in Covalent MOL file
H2NFFOOH
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C9H9F2NO2
Molar mass
201.17 g/mol
Exact mass
201.0601 Da
logP
0.92Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
32133-37-2
SMILES
NC(Cc1cc(F)cc(F)c1)C(=O)O
InChIKey
QFGMPXZFCIHYIR-UHFFFAOYSA-N
InChI
InChI=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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Phenylalanine, 3,5-difluoro-
  • Alanine, 3-(3,5-difluorophenyl)-, DL-
  • DL-Phenylalanine, 3,5-difluoro-
  • 3,5-Difluoro-DL-phenylalanine
  • 2-Amino-3-(3,5-difluorophenyl)propanoic acid

Work with 3,5-Difluorophenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3,5-Difluoro-L-phenylalanine31105-91-6Defined stereoisomer 3,5-Difluoro-D-phenylalanine266360-63-8Defined stereoisomer

Similar compounds

3-Fluoro-D-phenylalanine110117-84-575 % similar 3-Fluoro-L-phenylalanine19883-77-375 % similar 3-Fluorophenylalanine2629-54-175 % similar 3-Fluorophenylalanine456-88-275 % similar 4-Fluoro-L-phenylalanine1132-68-971 % similar 4-Fluoro-D-phenylalanine18125-46-771 % similar P-Fluorophenylalanine51-65-071 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-566 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethylamine1213203-92-9 N-[4-(Difluoromethoxy)phenyl]acetamide22236-11-9 3,4-Difluoro-L-phenylalanine31105-90-5 2,4-Difluoro-dl-phenylalanine32133-35-0 Dl-3,4-difluorophenylalanine32133-36-1 2,5-Difluoro-dl-phenylalanine32133-38-3

Elsewhere

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