chempirical

(1)-4-Fluorophenylglycine

C8H8FNO2CAS 7292-73-1169.16 g/mol

Open in Covalent MOL file
H2NOHOF
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C8H8FNO2
Molar mass
169.16 g/mol
Exact mass
169.0539 Da
Melting point
270–271 °C
logP
0.91Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7292-73-1
SMILES
NC(C(=O)O)c1ccc(F)cc1
InChIKey
JKFYKCYQEWQPTM-UHFFFAOYSA-N
InChI
InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

13 names · show all
  • 4-Fluorophenylglycine
  • Benzeneacetic acid, α-amino-4-fluoro-
  • Glycine, 2-(p-fluorophenyl)-, DL-
  • Benzeneacetic acid, α-amino-4-fluoro-, (±)-
  • α-Amino-4-fluorobenzeneacetic acid
  • DL-2-(p-Fluorophenyl)glycine
  • DL-α-Amino-p-fluorophenylacetic acid
  • Glycine, 2-(p-fluorophenyl)-
  • NSC 101466
  • 2-Amino-2-(4-fluorophenyl)acetic acid
  • DL-4-Fluorophenylglycine
  • α-Amino-4-fluorophenylacetic acid
  • 2-Azaniumyl-2-(4-fluorophenyl)acetate

Work with (1)-4-Fluorophenylglycine

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.

D-(-)-4-Fluorophenylglycine93939-74-3Defined stereoisomer (S)-4-Fluorophenylglycine19883-57-9Defined stereoisomer

Similar compounds

D-P-Hydroxyphenylglycine22818-40-268 % similar Oxfenicine32462-30-968 % similar 4-Hydroxyphenylglycine938-97-668 % similar Alpha-Amino-3-fluorobenzeneacetic acid7292-74-268 % similar Phenylglycine2835-06-565 % similar L-Phenylglycine2935-35-565 % similar DL-Phenylglycine69-91-065 % similar (-)-Phenylglycine875-74-165 % similar

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

Same formula

Methyl 3-amino-2-fluorobenzoate1195768-18-3 Methyl5-fluoro-6-methylpicolinate1245647-61-3 2,3-Dimethyl-4-fluoronitrobenzene1736-87-4 Methyl-4-amino-3-fluorobenzoate185629-32-7 (2-Fluorophenyl)glycine2343-27-3 Methyl 2-amino-4-fluorobenzoate2475-81-2 Methyl 2-amino-5-fluorobenzoate319-24-4

Elsewhere

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