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Molecule
Trifluoromethyltrimethylsilane
CAS: 81290-20-2 · C4H9F3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 81290-20-2
- Molecular Formula
- C4H9F3Si
- Molecular Mass
- 142.20 g/mol
Identifiers
CAS Registry Number
81290-20-2
SMILES
C[Si](C)(C)C(F)(F)F
InChI Key
MWKJTNBSKNUMFN-UHFFFAOYSA-N
InChI
InChI=1S/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3
Names and Synonyms
- Trifluoromethyltrimethylsilane Synonym
- Silane, trimethyl(trifluoromethyl)- Synonym
- Trimethyl(trifluoromethyl)silane Synonym
- (Trifluoromethyl)trimethylsilane Synonym
- Trimethylsilyltrifluoromethane Synonym
- Trifluoro(trimethylsilyl)methane Synonym
- Ruppert's reagent Synonym
- Reagents, Ruppert's Synonym
- Ruppert-Prakash reagent Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.20 g/mol | CAS Common Chemistry |
| 142.196 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.962 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trifluoromethyltrimethylsilane | CAS Common Chemistry |
| Boiling Point | 55 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MWKJTNBSKNUMFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Trifluoromethyl)trimethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.426100000000001 | RDKit |
| 2.4261 | RDKit | |
| Molar Refractivity | 29.40099999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 142.042561478 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 = 142.20 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
