4-Fluoro-L-phenylalanine

C₉H₁₀FNO₂CAS 1132-68-9183.18 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₀FNO₂
Molar mass: 183.18 g/mol
Exact mass: 183.0696 Da
Melting point: 252–255 °C
logP: 0.78Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1132-68-9

SMILES

N[C@@H](Cc1ccc(F)cc1)C(=O)O

InChIKey

XWHHYOYVRVGJJY-QMMMGPOBSA-N

InChI

InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

Weigh it out

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

Names and synonyms

12 names

L-Phenylalanine, 4-fluoro-
Alanine, 3-(p-fluorophenyl)-, L-
p-Fluoro-L-phenylalanine
L-(p-Fluorophenyl)alanine
S-(-)-p-Fluorophenylalanine
L-4-Fluorophenylalanine
(S)-2-Amino-3-(4-fluorophenyl)propionic acid
(S)-4-Fluorophenylalanine
(2S)-Amino-3-(4-fluorophenyl)propionic acid
(S)-2-Amino-3-(4-fluorophenyl)propanoic acid
(2S)-2-Amino-3-(4-fluorophenyl)propanoic acid
(2S)-2-Azaniumyl-3-(4-fluorophenyl)propanoate

Work with 4-Fluoro-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

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.

4-Fluoro-D-phenylalanine18125-46-7Enantiomer P-Fluorophenylalanine51-65-0Stereo not defined 4-Fluoro-D-phenylalanine hydrochloride122839-52-5Salt, enantiomer

Similar compounds

3,5-Difluoro-D-phenylalanine266360-63-871 % similar 3,5-Difluoro-L-phenylalanine31105-91-671 % similar 3,5-Difluorophenylalanine32133-37-271 % similar D-Tyrosine556-02-571 % similar DL-Tyrosine556-03-671 % similar Tyrosine60-18-471 % similar 3-Fluorophenylalanine2629-54-170 % similar 3-Fluorophenylalanine456-88-270 % similar

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

Same formula

3-Fluoro-D-phenylalanine110117-84-5 4-Fluoro-N-methoxy-N-methylbenzamide116332-54-8 β-Amino-3-fluorobenzenepropanoic acid117391-51-2 (R)-3-Amino-3-(4-fluorophenyl)-propionic acid151911-23-8 (3S)-3-Amino-3-(4-fluorophenyl)propanoic acid151911-33-0 3-Fluoro-L-phenylalanine19883-77-3 2-Fluoro-L-phenylalanine19883-78-4

Elsewhere

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