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Molecule
(3,3,3-Trifluoropropyl)Trimethoxysilane
CAS: 429-60-7 · C6H13F3O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 429-60-7
- Molecular Formula
- C6H13F3O3Si
- Molecular Mass
- 218.25 g/mol
Identifiers
CAS Registry Number
429-60-7
SMILES
CO[Si](CCC(F)(F)F)(OC)OC
InChI Key
JLGNHOJUQFHYEZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H13F3O3Si/c1-10-13(11-2,12-3)5-4-6(7,8)9/h4-5H2,1-3H3
Names and Synonyms
- (3,3,3-Trifluoropropyl)Trimethoxysilane Synonym
- Silane, trimethoxy(3,3,3-trifluoropropyl)- Synonym
- Trimethoxy(3,3,3-trifluoropropyl)silane Synonym
- (3,3,3-Trifluoropropyl)trimethoxysilane Synonym
- 1,1,1-Trifluoro-3-(trimethoxysilyl)propane Synonym
- T 2847 Synonym
- XC 95-418 Synonym
- TSL 8262 Synonym
- LS 1090 Synonym
- Q 3-9030 Synonym
- AY 43-013 Synonym
- KBM 7103 Synonym
- AP Silane 75 Synonym
- FAS 3 (silane) Synonym
- FAS 3 Synonym
- Z 6333 Synonym
- Dow Corning Z 9030 Synonym
- Z 9030 Synonym
- DB-F 1100 Synonym
- SIT 8372.0 Synonym
- FAS 3M Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.25 g/mol | CAS Common Chemistry |
| 218.24699999999999 g/mol | RDKit | |
| 218.247 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.137 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 144 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H13F3O3Si/c1-10-13(11-2,12-3)5-4-6(7,8)9/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JLGNHOJUQFHYEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3,3,3-Trifluoropropyl)trimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.8169 | RDKit |
| Molar Refractivity | 42.26000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 218.058605466 g/mol | RDKit |
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 |
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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 = 218.25 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
