3-Trifluoromethyl-L-phenylalanine

C₁₀H₁₀F₃NO₂CAS 14464-68-7233.19 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₀F₃NO₂
Molar mass: 233.19 g/mol
Exact mass: 233.0664 Da
logP: 1.66Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

14464-68-7

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C[C@@H](C(=O)O)N

InChIKey

BURBNIPKSRJAIQ-QMMMGPOBSA-N

InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1

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Names and synonyms

1 names

(S)-2-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid

Work with 3-Trifluoromethyl-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

3,5-Bis(trifluoromethyl)phenylalanine237076-69-675 % similar 3-Fluoro-D-phenylalanine110117-84-567 % similar 3-Fluoro-L-phenylalanine19883-77-367 % similar 3-Fluorophenylalanine2629-54-167 % similar 3-Fluorophenylalanine456-88-267 % similar L-M-Tyrosine587-33-764 % similar Dl-M-tyrosine775-06-464 % similar 3-Chloro-D-phenylalanine80126-52-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Trifluoromethyl)-D-phenylalanine114872-99-0 4-(Trifluoromethyl)-L-phenylalanine114926-38-4 4-(Trifluoromethyl)phenylalanine14091-16-8 3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid143438-91-9 D-3-Trifluoromethylphenylalanine14464-67-6

Elsewhere

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