chempirical

(S)-4-Fluorophenylglycine

C8H8FNO2CAS 19883-57-9169.16 g/mol

Open in Covalent MOL file
OHOH2NF
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C8H8FNO2
Molar mass
169.16 g/mol
Exact mass
169.0539 Da
logP
0.91Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
19883-57-9
SMILES
C1=CC(=CC=C1[C@@H](C(=O)O)N)F
InChIKey
JKFYKCYQEWQPTM-ZETCQYMHSA-N
InChI
InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m0/s1

Weigh it out

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

Work with (S)-4-Fluorophenylglycine

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

D-(-)-4-Fluorophenylglycine93939-74-3100 % similar D-P-Hydroxyphenylglycine22818-40-268 % similar Oxfenicine32462-30-968 % similar Dl-P-hydroxyphenylglycine938-97-668 % similar α-Amino-3-fluorobenzeneacetic acid7292-74-268 % similar Dl-phenylglycine69-91-065 % similar (-)-Phenylglycine875-74-165 % similar 2-Amino-2-(4-methylphenyl)acetic acid13227-01-564 % similar

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

Same formula

Methyl 3-amino-2-fluorobenzoate1195768-18-3 Methyl5-fluoro-6-methylpicolinate1245647-61-3 2,3-Dimethyl-4-fluoronitrobenzene1736-87-4 Methyl-4-amino-3-fluorobenzoate185629-32-7 (2-Fluorophenyl)glycine2343-27-3 Methyl 2-amino-5-fluorobenzoate319-24-4 3-Amino-4-fluorobenzoic acid methyl ester369-26-6 4-Fluorophenylglycine7292-73-1

Elsewhere

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