Fmoc-L-3,4,5-trifluorophenylalanine

C24H18F3NO4CAS 205526-30-3441.41 g/mol

Open in Covalent MOL file
OONHFFFOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C24H18F3NO4
Molar mass
441.41 g/mol
Exact mass
441.1188 Da
logP
4.64Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
205526-30-3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C(=C4)F)F)F)C(=O)O
InChIKey
VNMUACAZWGQRRL-NRFANRHFSA-N
InChI
InChI=1S/C24H18F3NO4/c25-19-9-13(10-20(26)22(19)27)11-21(23(29)30)28-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21H,11-12H2,(H,28,31)(H,29,30)/t21-/m0/s1

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Names and synonyms

1 names
  • 3,4,5-Trifluoro-L-phenylalanine, N-FMOC protected

Work with Fmoc-L-3,4,5-trifluorophenylalanine

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-D-3,4-difluorophe198545-59-482 % similar Fmoc-phe(3,5-F2)-OH205526-24-578 % similar Fmoc-D-pentafluorophenylalanine198545-85-675 % similar Fmoc-pentafluoro-L-phenylalanine205526-32-575 % similar Fmoc-L-3-fluorophe198560-68-874 % similar Fmoc-phe-oh286460-71-774 % similar Fmoc-D-phenylalanine86123-10-674 % similar Fmoc-L-4-fluorophe169243-86-173 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook