4-Fluoro-D-phenylalanine

C₉H₁₀FNO₂CAS 18125-46-7183.18 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
logP: 0.78Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

18125-46-7

SMILES

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

InChIKey

XWHHYOYVRVGJJY-MRVPVSSYSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names

4-Fluorophenylalanine, D-

Work with 4-Fluoro-D-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-L-phenylalanine1132-68-9Enantiomer P-Fluorophenylalanine51-65-0Stereo not defined 4-Fluoro-D-phenylalanine hydrochloride122839-52-5Salt

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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