HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Ethyl-1-cyclohexen-1-yl)-2-fluorobenzonitrile
Benzonitrile, 4-(4-ethyl-1-cyclohexen-1-yl)-2-fluoro- · Benzonitrile, 4-(4-ethyl-1-cyclohexen-1-yl)-2-fluoro- (9CI)

Identifiers & Physical Properties
| CAS No. | 475643-27-7 |
|---|---|
| Molecular formula | C15H16FN |
| Average molar mass | 229.29 g/mol |
| SMILES | CCC1CC=C(c2ccc(C#N)c(F)c2)CC1 |
| InChIKey | RIYGWGKRTIPZGE-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.3 |
|---|---|
| Topological polar surface area | 23.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 338 |
| Boiling point | 339.4±42.0 °C(Predicted) |
| Density | 1.08±0.1 g/cm3(Predicted) |