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Nonafluorohexyltriethoxysilane
CAS: 102390-98-7 | C12H19F9O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102390-98-7
Molecular Formula:
C12H19F9O3Si
Molecular Mass:
410.35 g/mol
Names and Synonyms:
Nonafluorohexyltriethoxysilane
Silane, triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-
Triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
1,1,2,2-Tetrahydroperfluorohexyltriethoxysilane
Nonafluorobutylethyltriethoxysilane
2-Perfluorobutylethyltriethoxysilane
Nonafluorohexyltriethoxysilane
SIN 6597.65
Triethoxy(1H,1H,2H,2H-nonafluorohexyl)silane
Identifiers:
SMILES:
CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChI:
InChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.35 g/mol | CAS Common Chemistry |
| 410.3490000000001 g/mol | RDKit | |
| 410.09597497799996 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H19F9O3Si/c1-4-22-25(23-5-2,24-6-3)8-7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NYIKUOULKCEZDO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nonafluorohexyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 4.893100000000004 | RDKit |
| Molar Refractivity | 70.95200000000004 | RDKit |
