Fmoc-phe(3,5-F2)-OH

C₂₄H₁₉F₂NO₄CAS 205526-24-5423.42 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₁₉F₂NO₄
Molar mass: 423.42 g/mol
Exact mass: 423.1282 Da
logP: 4.50Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

205526-24-5

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=CC(=C4)F)F)C(=O)O

InChIKey

UYEQBZISDRNPFC-QFIPXVFZSA-N

InChI

InChI=1S/C24H19F2NO4/c25-15-9-14(10-16(26)12-15)11-22(23(28)29)27-24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,21-22H,11,13H2,(H,27,30)(H,28,29)/t22-/m0/s1

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Names and synonyms

1 names

Fmoc-L-3,5-difluorophe

Work with Fmoc-phe(3,5-F2)-OH

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

Fmoc-L-3-fluorophe198560-68-887 % similar Fmoc-L-4-fluorophe169243-86-183 % similar Fmoc-L-3,4,5-trifluorophenylalanine205526-30-378 % similar Fmoc-D-tyr-oh112883-29-172 % similar Fmoc-2-nal-oh112883-43-971 % similar Fmoc-3-(2-naphthyl)-D-alanine138774-94-471 % similar Fmoc-3-(4-pyridyl)-L-alanine169555-95-771 % similar Fmoc-D-pentafluorophenylalanine198545-85-671 % similar

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

Same formula

Fmoc-D-3,4-difluorophe198545-59-4 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-L-phenylalanine198560-43-9 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-D-phenylalanine205526-25-6

Elsewhere

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