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1H,1H,2H,2H-Perfluorodecyltriethoxysilane
CAS: 101947-16-4 | C16H19F17O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101947-16-4
Molecular Formula:
C16H19F17O3Si
Molecular Mass:
610.38 g/mol
Names and Synonyms:
1H,1H,2H,2H-Perfluorodecyltriethoxysilane
Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-
Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
1-(Heptadecafluoro-1,1,2,2-tetrahydrodecyl)triethoxysilane
1H,1H,2H,2H-Perfluorodecyltriethoxysilane
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyltriethoxysilane
AY 43-158E
SIH 5841.2
17F (silane)
17F
[2-(Perfluorooctyl)ethyl]triethoxysilane
(Heptadecafluoro-1,1,2,2-tetrahydrodecyl)triethoxysilane
1,1,2,2-Tetrahydroperfluorodecyltriethoxysilane
F 1060
AC-FAS
FAS
Triethoxy(1H,1H,2H,2H-heptadecafluorodecyl)silane
AB 111156
Identifiers:
SMILES:
CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChI:
InChI=1S/C16H19F17O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h4-8H2,1-3H3
Key Properties
Boiling Point
103-106 °C @ Press: 3 Torr
CAS Common Chemistry
Density
1.41 g/cm³
CAS Common Chemistry
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 | 610.38 g/mol | CAS Common Chemistry |
| 610.3769999999998 g/mol | RDKit | |
| 610.083200738 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.407 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 103-106 °C @ Press: 3 Torr | 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](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H19F17O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MLXDKRSDUJLNAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1H,1H,2H,2H-Perfluorodecyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 7.434300000000007 | RDKit |
| Molar Refractivity | 90.74000000000001 | RDKit |
