chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-L-phenylalanine

C24H19F2NO4CAS 198560-43-9423.42 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
Sin SMILES atom order

Identifiers

CAS number
198560-43-9
SMILES
O=C(O)[C@H](Cc1ccc(F)c(F)c1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
IHSYIDJNVXPQRM-QFIPXVFZSA-N
InChI
InChI=1S/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1

Weigh it out

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

Names and synonyms

2 names
  • L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-
  • Fmoc-phe(3,4-F2)-OH

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,4-difluoro-L-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

Similar compounds

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-177 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-fluoro-D-phenylalanine177966-64-277 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-phenylalanine177966-58-474 % similar 3,4-Dichloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine177966-59-574 % similar Fmoc-L-phenylalanine35661-40-674 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-774 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino][1,1′-biphenyl]-4-propanoic acid205526-38-172 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-iodo-D-phenylalanine205526-29-071 % similar

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

Same formula

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3,5-difluoro-D-phenylalanine205526-25-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook