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Molecule
Trichloro(3,3,3-Trifluoropropyl)Silane
CAS: 592-09-6 · C3H4Cl3F3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 592-09-6
- Molecular Formula
- C3H4Cl3F3Si
- Molecular Mass
- 231.50 g/mol
Identifiers
CAS Registry Number
592-09-6
SMILES
FC(F)(F)CC[Si](Cl)(Cl)Cl
InChI Key
WEUBQNJHVBMUMD-UHFFFAOYSA-N
InChI
InChI=1S/C3H4Cl3F3Si/c4-10(5,6)2-1-3(7,8)9/h1-2H2
Names and Synonyms
- Trichloro(3,3,3-Trifluoropropyl)Silane Synonym
- Silane, trichloro(3,3,3-trifluoropropyl)- Synonym
- Trichloro(3,3,3-trifluoropropyl)silane Synonym
- (3,3,3-Trifluoropropyl)trichlorosilane Synonym
- TSL 8261 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.50 g/mol | CAS Common Chemistry |
| 231.50400000000002 g/mol | RDKit | |
| 231.504 g/mol | RDKit | |
| 231.495 g/mol | chempirical lib | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.395 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 113-114 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CC[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C3H4Cl3F3Si/c4-10(5,6)2-1-3(7,8)9/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WEUBQNJHVBMUMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trichloro(3,3,3-trifluoropropyl)silane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.5941 | RDKit |
| Molar Refractivity | 38.79200000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 229.909994358 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 231.50 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
