Basic information
- CAS
475643-27-7- Standard SMILES
CCC1CC=C(c2ccc(C#N)c(F)c2)CC1- InChIKey
RIYGWGKRTIPZGE-UHFFFAOYSA-N- Molecular formula
- C15H16FN
- Average molar mass
- 229.29 g/mol
Names & identifiers
- Preferred name
- 4-(4-Ethyl-1-cyclohexen-1-yl)-2-fluorobenzonitrile
- IUPAC
- 4-(4-ethylcyclohexen-1-yl)-2-fluorobenzonitrile
- English name
- Benzonitrile, 4-(4-ethyl-1-cyclohexen-1-yl)-2-fluoro- (9CI)
- Molecular formula
- C15H16FN
- Molecular weight
- 229.29
Names & synonyms
475643-27-74-(4-Ethyl-1-cyclohexen-1-yl)-2-fluorobenzonitrileDB-285723BENZONITRILE, 4-(4-ETHYL-1-CYCLOHEXEN-1-YL)-2-FLUORO-Benzonitrile, 4-(4-ethyl-1-cyclohexen-1-yl)-2-fluoro- (9CI)
Database identifiers
- CAS
475643-27-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 339.4 · 339.4±42.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…