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Trichloro[3-[1,2,2,2-Tetrafluoro-1-(Trifluoromethyl)Ethoxy]Propyl]Silane
CAS: 15538-93-9 | C6H6Cl3F7OSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15538-93-9
Molecular Formula:
C6H6Cl3F7OSi
Molecular Mass:
361.54 g/mol
Names and Synonyms:
Trichloro[3-[1,2,2,2-Tetrafluoro-1-(Trifluoromethyl)Ethoxy]Propyl]Silane
Silane, trichloro[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]-
Silane, trichloro[3-[tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]-
Trichloro[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]silane
3-(Heptafluoroisopropoxy)propyltrichlorosilane
Trichloro[3-(heptafluoroisopropoxy)propyl]silane
NSC 139839
Identifiers:
SMILES:
FC(F)(F)C(F)(OCCC[Si](Cl)(Cl)Cl)C(F)(F)F
InChI:
InChI=1S/C6H6Cl3F7OSi/c7-18(8,9)3-1-2-17-4(10,5(11,12)13)6(14,15)16/h1-3H2
Key Properties
Boiling Point
85-87 °C @ Press: 35 Torr
CAS Common Chemistry
Density
1.50 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 361.54 g/mol | CAS Common Chemistry |
| 361.544 g/mol | RDKit | |
| 359.914171922 g/mol | RDKit | |
| Density | 1.50 g/cm³ | CAS Common Chemistry |
| 1.497 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 85-87 °C @ Press: 35 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(OCCC[Si](Cl)(Cl)Cl)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6H6Cl3F7OSi/c7-18(8,9)3-1-2-17-4(10,5(11,12)13)6(14,15)16/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GATGUNJRFUIHOM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trichloro[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]silane | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 4.838800000000001 | RDKit |
| Molar Refractivity | 54.63800000000001 | RDKit |
