3-Fluoro-D-phenylalanine

C₉H₁₀FNO₂CAS 110117-84-5183.18 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 swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

110117-84-5

SMILES

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

InChIKey

VWHRYODZTDMVSS-MRVPVSSYSA-N

InChI

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

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

Names and synonyms

1 names

(2R)-2-Amino-3-(3-fluorophenyl)propanoic acid

Work with 3-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.

3-Fluoro-L-phenylalanine19883-77-3Enantiomer 3-Fluorophenylalanine456-88-2Stereo not defined 3-Fluorophenylalanine2629-54-1Stereo not defined

Similar compounds

3,5-Difluoro-D-phenylalanine266360-63-875 % similar 3,5-Difluoro-L-phenylalanine31105-91-675 % similar 3,5-Difluorophenylalanine32133-37-275 % similar L-M-Tyrosine587-33-771 % similar DL-m-Tyrosine775-06-471 % similar P-Fluorophenylalanine51-65-070 % similar 3-Chloro-L-phenylalanine80126-51-869 % similar 3-Chloro-D-phenylalanine80126-52-969 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluoro-L-phenylalanine1132-68-9 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 4-Fluoro-D-phenylalanine18125-46-7 2-Fluoro-L-phenylalanine19883-78-4

Elsewhere

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