chempirical

2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane

C12H5F19OCAS 41925-33-1526.14 g/mol

Open in Covalent MOL file
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Alkyl halideEpoxideEther

Properties

Molecular formula
C12H5F19O
Molar mass
526.14 g/mol
Exact mass
526.0037 Da
logP
6.42Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Identifiers

CAS number
41925-33-1
SMILES
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
InChIKey
ZFJPGQQBBNLQOX-UHFFFAOYSA-N
InChI
InChI=1S/C12H5F19O/c13-4(14,1-3-2-32-3)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3H,1-2H2

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

Names and synonyms

4 names
  • Oxirane, 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]-
  • Oxirane, [2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonyl]-
  • Perfluoroisononylpropylene oxide
  • 3-Perfluoro(7-methyloctyl)-1,2-epoxypropane

Work with 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]oxirane

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

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxirane38565-52-576 % similar 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)oxirane38565-53-676 % similar 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoroundecyl)oxirane38565-54-776 % similar 4,4,5,5,6,6,7,7,8,9,9,9-Dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonylmethacrylate16083-81-143 % similar Perfluoromethylcyclopentane1805-22-743 % similar Perfluoro-1,2-dimethylcyclohexane306-98-943 % similar Perfluoromethylcyclohexane355-02-243 % similar Perfluoro(1-methyldecalin)306-92-341 % similar

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

Elsewhere

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