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Molecule
Dichloromethyl(3,3,3-Trifluoropropyl)Silane
CAS: 675-62-7 · C4H7Cl2F3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 675-62-7
- Molecular Formula
- C4H7Cl2F3Si
- Molecular Mass
- 211.09 g/mol
Identifiers
CAS Registry Number
675-62-7
SMILES
C[Si](Cl)(Cl)CCC(F)(F)F
InChI Key
OHABWQNEJUUFAV-UHFFFAOYSA-N
InChI
InChI=1S/C4H7Cl2F3Si/c1-10(5,6)3-2-4(7,8)9/h2-3H2,1H3
Names and Synonyms
- Dichloromethyl(3,3,3-Trifluoropropyl)Silane Synonym
- Silane, dichloromethyl(3,3,3-trifluoropropyl)- Synonym
- Dichloromethyl(3,3,3-trifluoropropyl)silane Synonym
- (3,3,3-Trifluoropropyl)methyldichlorosilane Synonym
- Methyl-3,3,3-trifluoropropyldichlorosilane Synonym
- (3,3,3-Trifluoropropyl)dichloromethylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.09 g/mol | CAS Common Chemistry |
| 211.08599999999996 g/mol | RDKit | |
| 211.086 g/mol | RDKit | |
| 211.08 g/mol | chempirical lib | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.261 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 121-122 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CC[Si](Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7Cl2F3Si/c1-10(5,6)3-2-4(7,8)9/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OHABWQNEJUUFAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dichloromethyl(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 | 3.4884000000000013 | RDKit |
| 3.4884 | RDKit | |
| Molar Refractivity | 38.80300000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 209.964616774 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 211.09 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
