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Molecule
(1,1-Dimethylethyl)Dimethylsilyl 1,1,1-Trifluoromethanesulfonate
CAS: 69739-34-0 · C7H15F3O3SSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 69739-34-0
- Molecular Formula
- C7H15F3O3SSi
- Molecular Mass
- 264.34 g/mol
Identifiers
CAS Registry Number
69739-34-0
SMILES
CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChI Key
WLLIXJBWWFGEHT-UHFFFAOYSA-N
InChI
InChI=1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
Names and Synonyms
- (1,1-Dimethylethyl)Dimethylsilyl 1,1,1-Trifluoromethanesulfonate Systematic Name
- Methanesulfonic acid, 1,1,1-trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester Synonym
- Methanesulfonic acid, trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester Synonym
- (1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate Synonym
- tert-Butyldimethylsilyl triflate Synonym
- tert-Butyldimethylsilyl trifluoromethanesulfonate Synonym
- Trifluoromethanesulfonic acid (1,1-dimethylethyl)dimethylsilyl ester Synonym
- Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester Synonym
- (1,1-Dimethylethyl)dimethylsilyl trifluoromethanesulfonate Synonym
- tert-Butyldimethylsilyl trifluoromethanesulfonate Synonym
- tert-Butyldimethylsilyl triflate Synonym
- Dimethyl(2-methyl-2-propanyl)silyl trifluoromethanesulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.34 g/mol | CAS Common Chemistry |
| 264.34099999999995 g/mol | RDKit | |
| 264.341 g/mol | RDKit | |
| 264.334 g/mol | chempirical lib | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.151 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)(O[Si](C)(C)C(C)(C)C)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WLLIXJBWWFGEHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 2.857800000000001 | RDKit |
| 2.8578 | RDKit | |
| Molar Refractivity | 53.25680000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 264.04632653000004 g/mol | RDKit |
| Boiling Point | 65 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 264.34 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15F3O3SSi.
