4-Fluoro-D-phenylalanine hydrochloride

C₉H₁₁ClFNO₂CAS 122839-52-5219.64 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₁ClFNO₂
Molar mass: 219.64 g/mol
Exact mass: 219.0462 Da
logP: 1.20Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

122839-52-5

SMILES

C1=CC(=CC=C1C[C@H](C(=O)O)N)F.Cl

InChIKey

ZDECBCKSULAIGP-DDWIOCJRSA-N

InChI

InChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1

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Names and synonyms

1 names

D-4-Fluorophenylalanine hydrochloride

Work with 4-Fluoro-D-phenylalanine hydrochloride

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

4-Fluoro-L-phenylalanine1132-68-991 % similar P-Fluorophenylalanine51-65-091 % similar Tyrosine hydrochloride16870-43-273 % similar L-Phenylalanine, 4-amino-, hydrochloride (1:1)62040-55-571 % similar 3,5-Difluoro-D-phenylalanine266360-63-866 % similar 3,5-Difluoro-L-phenylalanine31105-91-666 % similar 3,5-Difluorophenylalanine32133-37-266 % similar 3-Fluoro-D-phenylalanine110117-84-565 % similar

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

Elsewhere

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