chempirical

Boc-D-3,4,5-trifluorophenylalanine

C14H16F3NO4CAS 205445-55-2319.28 g/mol

Open in Covalent MOL file
OONHFFFOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C14H16F3NO4
Molar mass
319.28 g/mol
Exact mass
319.1031 Da
logP
2.62Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
205445-55-2
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C(=C1)F)F)F)C(=O)O
InChIKey
CWPLICWOIFEQMR-SNVBAGLBSA-N
InChI
InChI=1S/C14H16F3NO4/c1-14(2,3)22-13(21)18-10(12(19)20)6-7-4-8(15)11(17)9(16)5-7/h4-5,10H,6H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1

Weigh it out

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

Work with Boc-D-3,4,5-trifluorophenylalanine

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-L-3,4-difluorophe198474-90-778 % similar Boc-D-pentafluorophenylalanine136207-26-669 % similar (S)-2-((tert-Butoxycarbonyl)amino)-3-(perfluorophenyl)propanoic acid34702-60-869 % similar Boc-4-iodo-D-phenylalanine176199-35-262 % similar Fmoc-L-3,4,5-trifluorophenylalanine205526-30-362 % similar Boc-3-methyl-L-phenylalanine114873-06-262 % similar (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-262 % similar Boc-D-4,4'-biphenylalanine128779-47-561 % similar

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

Elsewhere

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