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Molecule
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
Identifiers
CAS Registry Number
15538-93-9
SMILES
FC(F)(F)C(F)(OCCC[Si](Cl)(Cl)Cl)C(F)(F)F
InChI Key
GATGUNJRFUIHOM-UHFFFAOYSA-N
InChI
InChI=1S/C6H6Cl3F7OSi/c7-18(8,9)3-1-2-17-4(10,5(11,12)13)6(14,15)16/h1-3H2
Names and Synonyms
- Trichloro[3-[1,2,2,2-Tetrafluoro-1-(Trifluoromethyl)Ethoxy]Propyl]Silane Synonym
- Silane, trichloro[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]- Synonym
- Silane, trichloro[3-[tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]- Synonym
- Trichloro[3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethoxy]propyl]silane Synonym
- 3-(Heptafluoroisopropoxy)propyltrichlorosilane Synonym
- Trichloro[3-(heptafluoroisopropoxy)propyl]silane Synonym
- NSC 139839 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.497 g/cm3 | CAS Common Chemistry |
| 1.50 g/cm³ | CAS Common Chemistry | |
| Molecular Mass | 361.54 g/mol | CAS Common Chemistry |
| 361.544 g/mol | RDKit | |
| 361.535 g/mol | chempirical lib | |
| 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 |
| 4.8388 | RDKit | |
| Molar Refractivity | 54.63800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 359.914171922 g/mol | RDKit |
| Boiling Point | 85-87 °C @ 35 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 361.54 g/mol. Edit any field — others recompute live.
