chempirical

Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate

C10H18F6O6S2SiCAS 85272-31-7440.44 g/mol

Open in Covalent MOL file
SiOSOOFFFOSOOFFF
Alkyl halide

Properties

Molecular formula
C10H18F6O6S2Si
Molar mass
440.44 g/mol
Exact mass
440.0218 Da
Density
1.36 g/mL
Boiling point
73–75 °C (at 0.35 Torr)
logP
3.76Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
4

Identifiers

CAS number
85272-31-7
SMILES
CC(C)(C)[Si](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)C(C)(C)C
InChIKey
HUHKPYLEVGCJTG-UHFFFAOYSA-N
InChI
InChI=1S/C10H18F6O6S2Si/c1-7(2,3)25(8(4,5)6,21-23(17,18)9(11,12)13)22-24(19,20)10(14,15)16/h1-6H3

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

Names and synonyms

7 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl ester
  • Methanesulfonic acid, trifluoro-, bis(1,1-dimethylethyl)silylene ester
  • Di-tert-butylsilyl bis(trifluoromethanesulfonate)
  • Di-tert-butylbis(trifluoromethanesulfonato)silane
  • Di(tert-butyl)silyl ditriflate
  • (tert-Butyl)2(OTf)2Si
  • [Ditert-butyl(trifluoromethylsulfonyloxy)silyl] trifluoromethanesulfonate

Work with Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate

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

(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate69739-34-066 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-857 % similar Triethylsilyl 1,1,1-trifluoromethanesulfonate79271-56-052 % similar Methyl trifluoromethanesulfonate333-27-746 % similar Trifluoromethanesulfonic anhydride358-23-646 % similar Ethyl 1,1,1-trifluoromethanesulfonate425-75-242 % similar 2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-142 % similar 4-Acetylphenyl trifluoromethanesulfonate109613-00-531 % similar

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

Elsewhere

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