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Molecule
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
Identifiers
CAS Registry Number
102390-98-7
SMILES
CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChI Key
NYIKUOULKCEZDO-UHFFFAOYSA-N
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
Names and Synonyms
- Nonafluorohexyltriethoxysilane Common Name
- Silane, triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)- Synonym
- Triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane Synonym
- 1,1,2,2-Tetrahydroperfluorohexyltriethoxysilane Synonym
- Nonafluorobutylethyltriethoxysilane Synonym
- 2-Perfluorobutylethyltriethoxysilane Synonym
- Nonafluorohexyltriethoxysilane Synonym
- SIN 6597.65 Synonym
- Triethoxy(1H,1H,2H,2H-nonafluorohexyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 410.35 g/mol | CAS Common Chemistry |
| 410.3490000000001 g/mol | RDKit | |
| 410.349 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 |
| 4.8931 | RDKit | |
| Molar Refractivity | 70.95200000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 410.09597497799996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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.
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MW = 410.35 g/mol. Edit any field — others recompute live.
