Fmoc-L-3-fluorophe

C24H20FNO4CAS 198560-68-8405.43 g/mol

Open in Covalent MOL file
OONHFOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C24H20FNO4
Molar mass
405.43 g/mol
Exact mass
405.1376 Da
logP
4.36Crippen estimate
Polar surface area
75.6 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
198560-68-8
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=CC=C4)F)C(=O)O
InChIKey
DWSDVARCJDOADL-QFIPXVFZSA-N
InChI
InChI=1S/C24H20FNO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1

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Names and synonyms

1 names
  • Fmoc-3-fluoro-L-phenylalanine

Work with Fmoc-L-3-fluorophe

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.

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-1Enantiomer

Similar compounds

Fmoc-phe(3,5-F2)-OH205526-24-587 % similar Fmoc-phe-oh286460-71-778 % similar Fmoc-D-phenylalanine86123-10-678 % similar Fmoc-3-chloro-L-phenylalanine198560-44-078 % similar Fmoc-3-chloro-D-phenylalanine205526-23-478 % similar Fmoc-D-3,4-difluorophe198545-59-477 % similar (R)-N-Fmoc-3-bromophenylalanine220497-81-477 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(m-tolyl)propanoic acid352351-64-577 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-L-4-fluorophe169243-86-1 N-((9H-Fluoren-9-ylmethoxy)carbonyl)-4-fluoro-D-phenylalanine177966-64-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-7

Elsewhere

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