Back to Search
Molecule
Chlorodimethyl(Pentafluorophenyl)Silane
CAS: 20082-71-7 · C8H6ClF5Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20082-71-7
- Molecular Formula
- C8H6ClF5Si
- Molecular Mass
- 260.66 g/mol
Identifiers
CAS Registry Number
20082-71-7
SMILES
C[Si](C)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChI Key
PQRFRTCWNCVQHI-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3
Names and Synonyms
- Chlorodimethyl(Pentafluorophenyl)Silane Common Name
- Benzene, 1-(chlorodimethylsilyl)-2,3,4,5,6-pentafluoro- Synonym
- Silane, chlorodimethyl(pentafluorophenyl)- Synonym
- 1-(Chlorodimethylsilyl)-2,3,4,5,6-pentafluorobenzene Synonym
- Flophemesyl chloride Synonym
- Chlorodimethyl(pentafluorophenyl)silane Synonym
- (Pentafluorophenyl)dimethylchlorosilane Synonym
- (Pentafluorophenyl)dimethylsilyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.66 g/mol | CAS Common Chemistry |
| 260.66499999999996 g/mol | RDKit | |
| 260.665 g/mol | RDKit | |
| 260.662 g/mol | chempirical lib | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.367 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | FC=1C(F)=C(F)C(=C(F)C1F)[Si](Cl)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PQRFRTCWNCVQHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorodimethyl(pentafluorophenyl)silane | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 3.0330000000000013 | RDKit |
| 3.033 | RDKit | |
| Molar Refractivity | 49.201 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 259.984745502 g/mol | RDKit |
| Boiling Point | 88-90 °C @ 10 Torr | CAS Common Chemistry |
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 = 260.66 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
