Boc-L-3,4-difluorophe

C14H17F2NO4CAS 198474-90-7301.29 g/mol

Open in Covalent MOL file
OONHFFOHO
Aryl halideCarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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.

Boc-3,4-difluoro-D-phenylalanine205445-51-8Enantiomer

Similar compounds

Boc-D-3,4,5-trifluorophenylalanine205445-55-278 % similar Boc-L-4-fluorophe41153-30-474 % similar Boc-D-tyr-oh70642-86-370 % similar Boc-3-(2-naphthyl)-L-alanine58438-04-370 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)-3-(3,4-dichlorophenyl)propanoic acid80741-39-570 % similar Boc-dl-phe-oh4530-18-168 % similar Boc-4-iodo-D-phenylalanine176199-35-267 % similar (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid47375-34-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

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