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(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
Names and Synonyms:
(3,3,3-Trifluoropropyl)Trimethoxysilane
Silane, trimethoxy(3,3,3-trifluoropropyl)-
Trimethoxy(3,3,3-trifluoropropyl)silane
(3,3,3-Trifluoropropyl)trimethoxysilane
1,1,1-Trifluoro-3-(trimethoxysilyl)propane
T 2847
XC 95-418
TSL 8262
LS 1090
Q 3-9030
AY 43-013
KBM 7103
AP Silane 75
FAS 3 (silane)
FAS 3
Z 6333
Dow Corning Z 9030
Z 9030
DB-F 1100
SIT 8372.0
FAS 3M
Identifiers:
SMILES:
CO[Si](CCC(F)(F)F)(OC)OC
InChI:
InChI=1S/C6H13F3O3Si/c1-10-13(11-2,12-3)5-4-6(7,8)9/h4-5H2,1-3H3
Key Properties
Boiling Point
144 °C
CAS Common Chemistry
Density
1.14 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 | 218.25 g/mol | CAS Common Chemistry |
| 218.24699999999999 g/mol | RDKit | |
| 218.058605466 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 | RDKit |
