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Molecule
1H,1H,2H,2H-Perfluorodecyltriethoxysilane
CAS: 101947-16-4 · C16H19F17O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101947-16-4
- Molecular Formula
- C16H19F17O3Si
- Molecular Mass
- 610.38 g/mol
Identifiers
CAS Registry Number
101947-16-4
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 Key
MLXDKRSDUJLNAB-UHFFFAOYSA-N
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
Names and Synonyms
- 1H,1H,2H,2H-Perfluorodecyltriethoxysilane Systematic Name
- Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)- Synonym
- Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane Synonym
- 1-(Heptadecafluoro-1,1,2,2-tetrahydrodecyl)triethoxysilane Synonym
- 1H,1H,2H,2H-Perfluorodecyltriethoxysilane Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyltriethoxysilane Synonym
- AY 43-158E Synonym
- SIH 5841.2 Synonym
- 17F (silane) Synonym
- 17F Synonym
- [2-(Perfluorooctyl)ethyl]triethoxysilane Synonym
- (Heptadecafluoro-1,1,2,2-tetrahydrodecyl)triethoxysilane Synonym
- 1,1,2,2-Tetrahydroperfluorodecyltriethoxysilane Synonym
- F 1060 Synonym
- AC-FAS Synonym
- FAS Synonym
- Triethoxy(1H,1H,2H,2H-heptadecafluorodecyl)silane Synonym
- AB 111156 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 610.38 g/mol | CAS Common Chemistry |
| 610.3769999999998 g/mol | RDKit | |
| 610.377 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.407 g/cm3 @ 25 °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](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 |
| 7.4343 | RDKit | |
| Molar Refractivity | 90.74000000000001 cm³/mol | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Exact Mass | 610.083200738 g/mol | RDKit |
| Boiling Point | 103-106 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
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MW = 610.38 g/mol; density = 1.410 g/mL. Edit any field — others recompute live.
