chempirical

9-Fluorenylmethyl pentafluorophenyl carbonate

C21H11F5O3CAS 88744-04-1406.31 g/mol

Open in Covalent MOL file
OOOFFFFF
Aryl halideCarbonate

Properties

Molecular formula
C21H11F5O3
Molar mass
406.31 g/mol
Exact mass
406.0628 Da
logP
5.71Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
88744-04-1
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)OC4=C(C(=C(C(=C4F)F)F)F)F
InChIKey
CBBKZVZOEBSFQX-UHFFFAOYSA-N
InChI
InChI=1S/C21H11F5O3/c22-15-16(23)18(25)20(19(26)17(15)24)29-21(27)28-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2

Weigh it out

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

Work with 9-Fluorenylmethyl pentafluorophenyl carbonate

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-ala-opfp125043-04-161 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]glycine 2,3,4,5,6-pentafluorophenyl ester86060-85-761 % similar Fmoc-ala-opfp86060-86-861 % similar Fmoc-val-opfp86060-87-958 % similar Fmoc-phe-opfp86060-92-657 % similar Fmoc-asn-opfp86060-99-357 % similar Fmoc-leu-opfp86060-88-056 % similar 1-(9H-Fluoren-9-ylmethyl) 2-(pentafluorophenyl) (2S)-1,2-pyrrolidinedicarboxylate86060-90-456 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook