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Molecule
Trifluoromethylsilane
CAS: 373-74-0 · CH3F3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 373-74-0
- Molecular Formula
- CH3F3Si
- Molecular Mass
- 100.12 g/mol
Identifiers
CAS Registry Number
373-74-0
SMILES
C[Si](F)(F)F
InChI Key
BHOCBLDBJFCBQS-UHFFFAOYSA-N
InChI
InChI=1S/CH3F3Si/c1-5(2,3)4/h1H3
Names and Synonyms
- Trifluoromethylsilane Common Name
- Silane, trifluoromethyl- Synonym
- Trifluoromethylsilane Synonym
- Methyltrifluorosilane Synonym
- Silicon carbide fluoride hydride (SiCF3H3) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.12 g/mol | CAS Common Chemistry |
| 100.11500000000001 g/mol | RDKit | |
| 100.115 g/mol | RDKit | |
| Boiling Point | -30 °C | CAS Common Chemistry |
| Canonical SMILES | F[Si](F)(F)C | CAS Common Chemistry |
| InChI | InChI=1S/CH3F3Si/c1-5(2,3)4/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BHOCBLDBJFCBQS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -73 °C | CAS Common Chemistry |
| Name | Trifluoromethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.4636 | RDKit |
| Molar Refractivity | 14.942000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 99.995611286 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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Quick conversion
MW = 100.12 g/mol. Edit any field — others recompute live.
