Fmoc-D-pentafluorophenylalanine

C₂₄H₁₆F₅NO₄CAS 198545-85-6477.39 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

Fmoc-L-3,4,5-trifluorophenylalanine205526-30-375 % similar Fmoc-L-4-fluorophe169243-86-172 % similar Fmoc-D-tyr-oh112883-29-172 % similar Fmoc-phe(3,5-F2)-OH205526-24-571 % similar Fmoc-L-3-fluorophe198560-68-870 % similar Fmoc-D-3,4-difluorophe198545-59-468 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-567 % similar Fmoc-D-abu-oh170642-27-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Fmoc-D-ala-opfp125043-04-1 Fmoc-pentafluoro-L-phenylalanine205526-32-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook