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Molecule
(Tridecafluoro-1,1,2,2-Tetrahydrooctyl)Trichlorosilane
CAS: 78560-45-9 · C8H4Cl3F13Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78560-45-9
- Molecular Formula
- C8H4Cl3F13Si
- Molecular Mass
- 481.54 g/mol
Identifiers
CAS Registry Number
78560-45-9
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl
InChI Key
PISDRBMXQBSCIP-UHFFFAOYSA-N
InChI
InChI=1S/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2
Names and Synonyms
- (Tridecafluoro-1,1,2,2-Tetrahydrooctyl)Trichlorosilane Systematic Name
- Silane, trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)- Synonym
- Trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane Synonym
- (1,1,2,2-Tetrahydroperfluorooctyl)trichlorosilane Synonym
- [2-(Perfluorohexyl)ethyl]trichlorosilane Synonym
- Trichloro(tridecafluoro-1,1,2,2-tetrahydrooctyl)silane Synonym
- Trichloro(1H,1H,2H,2H-tridecafluorooctyl)silane Synonym
- 1H,1H,2H,2H-Perfluorooctyltrichlorosilane Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltrichlorosilane Synonym
- (Tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane Synonym
- T 2492 Synonym
- TSL 8256 Synonym
- Perfluoro-1,1,2,2-tetrahydrooctyltrichlorosilane Synonym
- SIT 8174.0 Synonym
- Dynasylan 8061 Synonym
- (1H,1H,2H,2H-Tridecafluorooctyl)trichlorosilane Synonym
- Tridecafluoro-1,1,2,2-tetrahydroctyl-1-trichlorosilane Synonym
- Trichloro(1H,1H,2H,2H-perfluorooctyl)silane Synonym
- F 13OTCS Synonym
- FDTS Synonym
- (3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl)trichlorosilane Synonym
- Trichloro(1H,1H,2H,2H-perfuorooctyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 481.54 g/mol | CAS Common Chemistry |
| 481.539 g/mol | RDKit | |
| 481.53 g/mol | chempirical lib | |
| Density | 1.64 g/cm³ | CAS Common Chemistry |
| 1.639 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PISDRBMXQBSCIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.770600000000001 | RDKit |
| 6.7706 | RDKit | |
| Molar Refractivity | 63.527000000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 479.894026558 g/mol | RDKit |
| Boiling Point | 84-85 °C @ 17 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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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 = 481.54 g/mol; density = 1.640 g/mL. Edit any field — others recompute live.
