Boc-L-3,4-difluorophe

C₁₄H₁₇F₂NO₄CAS 198474-90-7301.29 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₁₄H₁₇F₂NO₄
Molar mass: 301.29 g/mol
Exact mass: 301.1126 Da
logP: 2.49Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

198474-90-7

SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)F)F)C(=O)O

InChIKey

CYAOPVHXASZUDE-NSHDSACASA-N

InChI

InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1

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Names and synonyms

1 names

Boc-3,4-difluoro-L-phenylalanine

Work with Boc-L-3,4-difluorophe

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

Boc-D-3,4,5-trifluorophenylalanine205445-55-278 % similar Boc-4-iodo-D-phenylalanine176199-35-267 % similar Boc-3-methyl-L-phenylalanine114873-06-267 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-267 % similar Boc-D-4,4'-biphenylalanine128779-47-566 % similar Boc-L-4,4'-biphenylalanine147923-08-866 % similar Fmoc-D-3,4-difluorophe198545-59-464 % similar Boc-D-bpa-oh117666-94-163 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-3,4-difluoro-D-phenylalanine205445-51-8 N-[(1,1-Dimethylethoxy)carbonyl]-3,5-difluoro-L-phenylalanine205445-52-9

Elsewhere

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