N-Acetyl-3-(2,6-difluorophenyl)-D-alanine

C₁₁H₁₁F₂NO₃CAS 266360-56-9243.21 g/mol

Open in Covalent MOL file

Amide Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₁₁F₂NO₃
Molar mass: 243.21 g/mol
Exact mass: 243.0707 Da
logP: 1.10Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4
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

266360-56-9

SMILES

CC(=O)N[C@H](CC1=C(C=CC=C1F)F)C(=O)O

InChIKey

SOVRNHLRLBIHRI-SNVBAGLBSA-N

InChI

InChI=1S/C11H11F2NO3/c1-6(15)14-10(11(16)17)5-7-8(12)3-2-4-9(7)13/h2-4,10H,5H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1

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Names and synonyms

1 names

N-Acetyl-3-(2,6-difluoro-phenyl)-D-alanine

Work with N-Acetyl-3-(2,6-difluorophenyl)-D-alanine

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

Similar compounds

2,6-Difluoro-l-phenylalanine33787-05-255 % similar N-Acetyl-D-leucine19764-30-848 % similar 2-Acetamidopentanoic acid7682-15-748 % similar N-Acetylhistidine monohydrate39145-52-347 % similar N-Acetyl-dl-norleucine7682-16-846 % similar N-Acetyl-3,5-dinitro-L-tyrosine20767-00-445 % similar 2,6-Difluoromandelic acid207981-50-842 % similar (S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid117833-18-842 % similar

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

Elsewhere

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