chempirical

DL-2-Fluorophenylalanine

C9H10FNO2CAS 2629-55-2183.18 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
Melting point
258.5–259 °C
logP
0.78Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2629-55-2
SMILES
NC(Cc1ccccc1F)C(=O)O
InChIKey
NYCRCTMDYITATC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(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

12 names
  • Phenylalanine, 2-fluoro-
  • Alanine, 3-(o-fluorophenyl)-, DL-
  • DL-Phenylalanine, 2-fluoro-
  • 2-Fluorophenylalanine
  • DL-o-Fluorophenylalanine
  • (±)-2-Fluorophenylalanine
  • 2-Fluoro-DL-phenylalanine
  • 3-(2-Fluorophenyl)-DL-alanine
  • 3-(o-Fluorophenyl)alanine
  • o-Fluoro-DL-phenylalanine
  • o-Fluorophenylalanine
  • 2-Amino-3-(2-fluorophenyl)propanoic acid

Work with DL-2-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.

2-Fluoro-L-phenylalanine19883-78-4Defined stereoisomer 2-Fluoro-D-phenylalanine97731-02-7Defined stereoisomer

Similar compounds

2,6-Difluoro-l-phenylalanine33787-05-270 % similar 2,4-Difluoro-dl-phenylalanine32133-35-068 % similar 2,5-Difluoro-dl-phenylalanine32133-38-368 % similar (±)-O-Tyrosine2370-61-866 % similar (2R)-2-Amino-3-(2-bromophenyl)propanoic acid267225-27-466 % similar 2-Bromophenylalanine42538-40-966 % similar 2-Chloro-L-phenylalanine103616-89-364 % similar Dl-2'-methylphenylalanine hydrochloride22888-51-364 % similar

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

Same formula

3-Fluoro-D-phenylalanine110117-84-5 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 3-Fluoro-L-phenylalanine19883-77-3

Elsewhere

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