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Molecule
N-Methyl-N-(Tert-Butyldimethylsilyl)Trifluoroacetamide
CAS: 77377-52-7 · C9H18F3NOSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 77377-52-7
- Molecular Formula
- C9H18F3NOSi
- Molecular Mass
- 241.33 g/mol
Identifiers
CAS Registry Number
77377-52-7
SMILES
CN(C(=O)C(F)(F)F)[Si](C)(C)C(C)(C)C
InChI Key
QRKUHYFDBWGLHJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H18F3NOSi/c1-8(2,3)15(5,6)13(4)7(14)9(10,11)12/h1-6H3
Names and Synonyms
- N-Methyl-N-(Tert-Butyldimethylsilyl)Trifluoroacetamide Synonym
- Acetamide, N-[(1,1-dimethylethyl)dimethylsilyl]-2,2,2-trifluoro-N-methyl- Synonym
- N-[(1,1-Dimethylethyl)dimethylsilyl]-2,2,2-trifluoro-N-methylacetamide Synonym
- N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide Synonym
- N-(tert-Butyldimethylsilyl)-N-methyltrifluoroacetamide Synonym
- N-Methyl-N-(tert-butyldimethylsilyl)-1,1,1-trifluoroacetamide Synonym
- N-Methyl-N-(tert-butyltdimethylsilyl)trifluoroacetamide Synonym
- N-(Tertbutyldimethylsilyl)-N-methyltrifluoroacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.33 g/mol | CAS Common Chemistry |
| 241.329 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.023 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 168-170 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C)[Si](C)(C)C(C)(C)C)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C9H18F3NOSi/c1-8(2,3)15(5,6)13(4)7(14)9(10,11)12/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QRKUHYFDBWGLHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 3.0123000000000015 | RDKit |
| 3.0123 | RDKit | |
| Molar Refractivity | 56.02200000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 241.110975386 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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 = 241.33 g/mol; density = 1.020 g/mL. Edit any field — others recompute live.
