tert-butyldiphenylsilyl trifluoromethanesulfonate

• ChemBase ID: 99884
• Molecular Formular: C17H19F3O3SSi
• Molecular Mass: 388.4766696
• Monoisotopic Mass: 388.07762666
• SMILES: [Si](c1ccccc1)(c1ccccc1)(OS(=O)(=O)C(F)(F)F)C(C)(C)C
• Canonical SMILES: CC([Si](c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F)(C)C
• InChI: InChI=1S/C17H19F3O3SSi/c1-16(2,3)25(14-10-6-4-7-11-14,15-12-8-5-9-13-15)23-24(21,22)17(18,19)20/h4-13H,1-3H3
• InChIKey: AOMOJFWVOHXBTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldiphenylsilyl trifluoromethanesulfonate
• IUPAC Traditional name: tert-butyldiphenylsilyl trifluoromethanesulfonate
• Synonyms: tert-Butyl(diphenyl)silyl triflate; tert-Butyl(diphenyl)silyl trifluoromethanesulphonate

Database IDs

• CAS Number: 92886-86-7
• MDL Number: MFCD01941212
• PubChem SID: 162086131
• PubChem CID: 10949115

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.9781
• LogD (pH = 7.4): 6.9781
• Log P: 6.9781
• Molar Refractivity: 86.2184 cm^3
• Polarizability: 36.18241 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive