3,5-Difluoro-L-phenylalanine

C₉H₉F₂NO₂CAS 31105-91-6201.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

31105-91-6

SMILES

N[C@@H](Cc1cc(F)cc(F)c1)C(=O)O

InChIKey

QFGMPXZFCIHYIR-QMMMGPOBSA-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)/t8-/m0/s1

Weigh it out

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

Names and synonyms

7 names

L-Phenylalanine, 3,5-difluoro-
Alanine, 3-(3,5-difluorophenyl)-, L-
(S)-3,5-Difluorophenylalanine
(2S)-Amino-3-(3,5-difluorophenyl)propionic acid
(S)-2-Amino-3-(3,5-difluorophenyl)propanoicacid
(2S)-2-Azaniumyl-3-(3,5-difluorophenyl)propanoate
(2S)-2-Amino-3-(3,5-difluorophenyl)propanoic acid

Work with 3,5-Difluoro-L-phenylalanine

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

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 P-Fluorophenylalanine51-65-071 % similar 4-Fluoro-D-phenylalanine hydrochloride122839-52-566 % similar 3,5-Bis(trifluoromethyl)phenylalanine237076-69-662 % 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 3,5-Difluoro-D-phenylalanine266360-63-8 3,5-Difluorophenylalanine32133-37-2

Elsewhere

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