chempirical

2-Fluoro-D-phenylalanine

C9H10FNO2CAS 97731-02-7183.18 g/mol

Open in Covalent MOL file
OOHH2NF
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
Stereocentres
Rin SMILES atom order

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
97731-02-7
SMILES
C1=CC=C(C(=C1)C[C@H](C(=O)O)N)F
InChIKey
NYCRCTMDYITATC-MRVPVSSYSA-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)/t8-/m1/s1

Weigh it out

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

Work with 2-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.

2-Fluoro-L-phenylalanine19883-78-4Enantiomer DL-2-Fluorophenylalanine2629-55-2Stereo not defined

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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