Fmoc-D-pentafluorophenylalanine

C24H16F5NO4CAS 198545-85-6477.39 g/mol

Open in Covalent MOL file
OONHFFFFFOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C24H16F5NO4
Molar mass
477.39 g/mol
Exact mass
477.0999 Da
logP
4.92Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin 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
198545-85-6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=C(C(=C(C(=C4F)F)F)F)F)C(=O)O
InChIKey
DLOGILOIJKBYKA-QGZVFWFLSA-N
InChI
InChI=1S/C24H16F5NO4/c25-18-15(19(26)21(28)22(29)20(18)27)9-17(23(31)32)30-24(33)34-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8,16-17H,9-10H2,(H,30,33)(H,31,32)/t17-/m1/s1

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Names and synonyms

1 names
  • Fmoc-D-phe(F5)-OH

Work with Fmoc-D-pentafluorophenylalanine

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-pentafluoro-L-phenylalanine205526-32-5Enantiomer

Similar compounds

Fmoc-L-3,4,5-trifluorophenylalanine205526-30-375 % similar Fmoc-phe-oh286460-71-773 % similar Fmoc-D-phenylalanine86123-10-673 % similar Fmoc-L-4-fluorophe169243-86-172 % 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-phe(3,5-F2)-OH205526-24-571 % similar Fmoc-L-3-fluorophe198560-68-870 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-D-ala-opfp125043-04-1 Fmoc-ala-opfp86060-86-8

Elsewhere

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