P-Fluorophenylalanine

C9H10FNO2CAS 51-65-0183.18 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
238–242 °C (decomposes)
Water solubility
< 1 g/L (21.1 °C)
logP
0.78Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
51-65-0
SMILES
NC(Cc1ccc(F)cc1)C(=O)O
InChIKey
XWHHYOYVRVGJJY-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

16 names · show all
  • Phenylalanine, 4-fluoro-
  • Alanine, 3-(p-fluorophenyl)-, DL-
  • DL-Phenylalanine, 4-fluoro-
  • 4-Fluorophenylalanine
  • FPA
  • p-Fluoro-DL-phenylalanine
  • 4-Fluoro-DL-phenylalanine
  • DL-4-Fluorophenylalanine
  • DL-p-Fluorophenylalanine
  • DL-3-(p-Fluorophenyl)alanine
  • Alnasid
  • (±)-4-Fluorophenylalanine
  • PFPA
  • NSC 71433
  • 2-Amino-3-(4-fluorophenyl)propanoic acid
  • α-Amino-4-fluorobenzenepropanoic acid

Work with P-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.

4-Fluoro-L-phenylalanine1132-68-9Defined stereoisomer 4-Fluoro-D-phenylalanine18125-46-7Defined stereoisomer 4-Fluoro-D-phenylalanine hydrochloride122839-52-5Salt, defined stereoisomer

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

Elsewhere

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