chempirical

Fmoc-3,5-difluoro-D-phenylalanine

C24H19F2NO4CAS 205526-25-6423.42 g/mol

Open in Covalent MOL file
OOHFFNHOO
Aryl halideCarboxylic acid

Properties

Molecular formula
C24H19F2NO4
Molar mass
423.42 g/mol
Exact mass
423.1282 Da
logP
4.70Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
205526-25-6
SMILES
O=C(O)[C@@H](Cc1cc(F)cc(F)c1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
UYEQBZISDRNPFC-JOCHJYFZSA-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-/m1/s1

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

Names and synonyms

2 names
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-D-phenylalanine
  • D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-

Work with Fmoc-3,5-difluoro-D-phenylalanine

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.

Fmoc-phe(3,5-F2)-OH205526-24-5Enantiomer

Similar compounds

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-187 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-283 % similar Fmoc-L-phenylalanine35661-40-677 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-171 % similar Fmoc-3,4-dichloro-D-phenylalanine177966-58-471 % similar Fmoc-3,4-dichloro-L-phenylalanine177966-59-571 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-770 % similar Fmoc-D-4-iodophenylalanine205526-29-070 % 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

Elsewhere

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