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

C24H19F2NO4CAS 205526-24-5423.42 g/mol

Open in Covalent MOL file
OONHFFOHO
Aryl halideCarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

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

Weigh it out

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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

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-3,5-difluoro-D-phenylalanine205526-25-6Enantiomer

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-phe-oh286460-71-776 % similar Fmoc-D-phenylalanine86123-10-676 % similar Fmoc-D-tyr-oh112883-29-172 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-072 % similar Fmoc-2-nal-oh112883-43-971 % 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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