chempirical

3-Fluorophenylalanine

C9H10FNO2CAS 2629-54-1183.18 g/mol

Open in Covalent MOL file
H2NFOOH
Aryl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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
2629-54-1
SMILES
NC(Cc1cccc(F)c1)C(=O)O
InChIKey
VWHRYODZTDMVSS-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

15 names · show all
  • Phenylalanine, 3-fluoro-
  • Alanine, 3-(m-fluorophenyl)-
  • m-Fluorophenylalanine
  • DL-3-(m-Fluorophenyl)alanine
  • DL-m-Fluorophenylalanine
  • Ba 2747
  • DL-3-Fluorophenylalanine
  • 3-Fluoro-DL-phenylalanine
  • (±)-3-Fluorophenylalanine
  • 3-(3-Fluorophenyl)-DL-alanine
  • m-Fluoro-DL-phenylalanine
  • NSC 208960
  • NSC 41871
  • 2-Amino-3-(3-fluorophenyl)propionic acid
  • 2-Amino-3-(3-fluorophenyl)propanoic acid

Work with 3-Fluorophenylalanine

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-phenylalanine19883-77-3Defined stereoisomer 3-Fluoro-D-phenylalanine110117-84-5Defined stereoisomer 3-Fluorophenylalanine456-88-2

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

Elsewhere

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