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Molecule
N-Methyl-N-(Trimethylsilyl)Trifluoroacetamide
CAS: 24589-78-4 · C6H12F3NOSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24589-78-4
- Molecular Formula
- C6H12F3NOSi
- Molecular Mass
- 199.25 g/mol
Identifiers
CAS Registry Number
24589-78-4
SMILES
CN(C(=O)C(F)(F)F)[Si](C)(C)C
InChI Key
MSPCIZMDDUQPGJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12F3NOSi/c1-10(12(2,3)4)5(11)6(7,8)9/h1-4H3
Names and Synonyms
- N-Methyl-N-(Trimethylsilyl)Trifluoroacetamide Synonym
- Acetamide, 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)- Synonym
- 2,2,2-Trifluoro-N-methyl-N-(trimethylsilyl)acetamide Synonym
- N-Methyl-N-(trimethylsilyl)trifluoroacetamide Synonym
- MSTFA Synonym
- N-Methyl-N-trimethylsilyltrifluoracetamide Synonym
- NSC 339701 Synonym
- N-Methyl-N(trimethylsilyl) trifluoroacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.25 g/mol | CAS Common Chemistry |
| 199.24800000000002 g/mol | RDKit | |
| 199.248 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.074 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 131-132 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C)[Si](C)(C)C)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6H12F3NOSi/c1-10(12(2,3)4)5(11)6(7,8)9/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MSPCIZMDDUQPGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-N-(trimethylsilyl)trifluoroacetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 1.8419999999999999 | RDKit |
| 1.842 | RDKit | |
| Molar Refractivity | 42.17100000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 199.064025194 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
External Resources
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MW = 199.25 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
