4-Fluoro-D-phenylalanine hydrochloride

C9H11ClFNO2CAS 122839-52-5219.64 g/mol

Open in Covalent MOL file
OOHH2NFHCl
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C9H11ClFNO2
Molar mass
219.64 g/mol
Exact mass
219.0462 Da
logP
1.20Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 39 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
122839-52-5
SMILES
C1=CC(=CC=C1C[C@H](C(=O)O)N)F.Cl
InChIKey
ZDECBCKSULAIGP-DDWIOCJRSA-N
InChI
InChI=1S/C9H10FNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m1./s1

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Names and synonyms

1 names
  • D-4-Fluorophenylalanine hydrochloride

Work with 4-Fluoro-D-phenylalanine hydrochloride

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.

P-Fluorophenylalanine51-65-0Free base, stereo not defined 4-Fluoro-L-phenylalanine1132-68-9Free base, enantiomer 4-Fluoro-D-phenylalanine18125-46-7Free base

Similar compounds

Tyrosine hydrochloride16870-43-273 % similar 4-Amino-3-phenyl-L-alanine monohydrochloride62040-55-571 % similar 4-Chloro-D-phenylalanine hydrochloride147065-05-269 % similar 3,5-Difluoro-D-phenylalanine266360-63-866 % similar 3,5-Difluoro-L-phenylalanine31105-91-666 % similar 3,5-Difluorophenylalanine32133-37-266 % similar 3-Fluoro-D-phenylalanine110117-84-565 % similar 3-Fluoro-L-phenylalanine19883-77-365 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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