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Molecule
Perfluorodecyltrichlorosilane
CAS: 78560-44-8 · C10H4Cl3F17Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 78560-44-8
- Molecular Formula
- C10H4Cl3F17Si
- Molecular Mass
- 581.55 g/mol
Identifiers
CAS Registry Number
78560-44-8
SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl
InChI Key
VIFIHLXNOOCGLJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H4Cl3F17Si/c11-31(12,13)2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h1-2H2
Names and Synonyms
- Perfluorodecyltrichlorosilane Common Name
- Silane, trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)- Synonym
- Trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane Synonym
- [2-(Perfluorooctyl)ethyl]trichlorosilane Synonym
- (Perfluorooctylethyl)trichlorosilane Synonym
- TSL 8232 Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyltrichlorosilane Synonym
- (1,1,2,2-Tetrahydroperfluorodecyl)trichlorosilane Synonym
- 1H,1H,2H,2H-Perfluorodecyltrichlorosilane Synonym
- HFTCS Synonym
- (Heptadecafluoro-1,1,2,2-tetrahydrodecyl)trichlorosilane Synonym
- Heptadecafluoro-1,1,2,2-tetrahydrooctyltrichlorosilane Synonym
- (1H,1H,2H,2H-Heptadecafluorodecyl)trichlorosilane Synonym
- SIH 5841.0 Synonym
- KS 3175 Synonym
- Gelest SIH 5841.0 Synonym
- (Heptadecafluoro-1,1,2,2-tetrahydradecyl)trichlorosilane Synonym
- FC 10 Synonym
- Trichloro(1H,1H,2H,2H-perfluorodecyl)silane Synonym
- SG-Si 191 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 581.55 g/mol | CAS Common Chemistry |
| 581.553 g/mol | RDKit | |
| 581.544 g/mol | chempirical lib | |
| Density | 1.70 g/cm³ | CAS Common Chemistry |
| 1.703 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorodecyltrichlorosilane | CAS Common Chemistry |
| Boiling Point | 216-218 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(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/C10H4Cl3F17Si/c11-31(12,13)2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VIFIHLXNOOCGLJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1H,1H,2H,2H-Perfluorodecyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 8.041200000000002 | RDKit |
| 8.0412 | RDKit | |
| Molar Refractivity | 73.421 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 579.8876394380001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 581.55 g/mol; density = 1.700 g/mL. Edit any field — others recompute live.
