Fmoc-L-3-fluorophe

C₂₄H₂₀FNO₄CAS 198560-68-8405.43 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₄H₂₀FNO₄
Molar mass: 405.43 g/mol
Exact mass: 405.1376 Da
logP: 4.36Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

198560-68-8

SMILES

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

InChIKey

DWSDVARCJDOADL-QFIPXVFZSA-N

InChI

InChI=1S/C24H20FNO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

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

Names and synonyms

1 names

Fmoc-3-fluoro-L-phenylalanine

Work with Fmoc-L-3-fluorophe

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-phe(3,5-F2)-OH205526-24-587 % similar Fmoc-3-chloro-L-phenylalanine198560-44-078 % similar Fmoc-3-chloro-D-phenylalanine205526-23-478 % similar Fmoc-D-3,4-difluorophe198545-59-477 % similar Fmoc-L-3-trifluoromethylphenylalanine205526-27-876 % similar Fmoc-L-3-cyanophenylalanine205526-36-974 % similar Fmoc-L-3,4,5-trifluorophenylalanine205526-30-374 % similar Fmoc-2-nal-oh112883-43-973 % similar

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

Same formula

Fmoc-L-4-fluorophe169243-86-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-7

Elsewhere

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