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Trifluoromethyltrimethylsilane
CAS: 81290-20-2 | C4H9F3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81290-20-2
Molecular Formula:
C4H9F3Si
Molecular Mass:
142.20 g/mol
Names and Synonyms:
Trifluoromethyltrimethylsilane
Silane, trimethyl(trifluoromethyl)-
Trimethyl(trifluoromethyl)silane
(Trifluoromethyl)trimethylsilane
Trimethylsilyltrifluoromethane
Trifluoro(trimethylsilyl)methane
Ruppert's reagent
Reagents, Ruppert's
Ruppert-Prakash reagent
Identifiers:
SMILES:
C[Si](C)(C)C(F)(F)F
InChI:
InChI=1S/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3
Key Properties
Boiling Point
55 °C
CAS Common Chemistry
Density
0.96 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.20 g/mol | CAS Common Chemistry |
| 142.196 g/mol | RDKit | |
| 142.042561478 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 |
| Trifluoromethyltrimethylsilane | 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 |
| Molar Refractivity | 29.40099999999999 | RDKit |
