Back to Search
Molecule
(Trifluorosilyl)Benzene
CAS: 368-47-8 · C6H5F3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 368-47-8
- Molecular Formula
- C6H5F3Si
- Molecular Mass
- 162.19 g/mol
Identifiers
CAS Registry Number
368-47-8
SMILES
F[Si](F)(F)c1ccccc1
InChI Key
KGWNTHHPMKEAIK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
Names and Synonyms
- (Trifluorosilyl)Benzene Common Name
- Benzene, (trifluorosilyl)- Synonym
- Silane, trifluorophenyl- Synonym
- (Trifluorosilyl)benzene Synonym
- Phenyltrifluorosilane Synonym
- Trifluorophenylsilane Synonym
- Phenylsilane trifluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.19 g/mol | CAS Common Chemistry |
| 162.186 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.216 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 101.5 °C | CAS Common Chemistry |
| Canonical SMILES | F[Si](F)(F)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5F3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=KGWNTHHPMKEAIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -18 °C | CAS Common Chemistry |
| Name | (Trifluorosilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.741 | RDKit |
| Molar Refractivity | 35.15400000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 162.01126135 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 162.19 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
