3,4-Difluoro-L-phenylalanine

C₉H₉F₂NO₂CAS 31105-90-5201.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₉F₂NO₂
Molar mass: 201.17 g/mol
Exact mass: 201.0601 Da
logP: 0.92Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin 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

31105-90-5

SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)N)F)F

InChIKey

PRAWYXDDKCVZTL-QMMMGPOBSA-N

InChI

InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1

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

Names and synonyms

1 names

L-3,4-Difluorophenylalanine

Work with 3,4-Difluoro-L-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.

Dl-3,4-difluorophenylalanine32133-36-1Stereo not defined

Similar compounds

3-Fluoro-DL-tyrosine403-90-777 % similar 3-Fluoro-L-tyrosine7423-96-377 % similar 4-Fluoro-L-phenylalanine1132-68-966 % similar 4-Fluoro-D-phenylalanine18125-46-766 % similar P-Fluorophenylalanine51-65-066 % similar 3-Fluoro-D-phenylalanine110117-84-565 % similar 3-Fluoro-L-phenylalanine19883-77-365 % similar 3-Fluorophenylalanine2629-54-165 % similar

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

Same formula

(R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethylamine1213203-92-9 N-[4-(Difluoromethoxy)phenyl]acetamide22236-11-9 3,5-Difluoro-D-phenylalanine266360-63-8 3,5-Difluoro-L-phenylalanine31105-91-6 2,4-Difluoro-dl-phenylalanine32133-35-0 3,5-Difluorophenylalanine32133-37-2 2,5-Difluoro-dl-phenylalanine32133-38-3

Elsewhere

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