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

Hazards

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

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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

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Names and synonyms

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

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

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-D-3,4-difluorophe198545-59-4Enantiomer

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 Fmoc-3,4-dichloro-D-phenylalanine177966-58-474 % similar Fmoc-3,4-dichloro-L-phenylalanine177966-59-574 % similar Fmoc-L-phenylalanine35661-40-674 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-774 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-172 % similar Fmoc-D-4-iodophenylalanine205526-29-071 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-phe(3,5-F2)-OH205526-24-5 Fmoc-3,5-difluoro-D-phenylalanine205526-25-6

Elsewhere

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