4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile
TL;DR: 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile (CAS 112026-71-8) is a chemical compound with molecular formula C15H18FN and molecular weight 231.14233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-ethylcyclohexyl)-2-fluorobenzonitrile
Also Known As: 2cHFCP, 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile, 2-fluoro-4-(4-ethylcyclohexyl)benzonitrile, 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile #, Benzonitrile, 4-(4-ethylcyclohexyl)-2-fluoro-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H18FN |
| Molecular Weight | 231.14233 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.14233 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | CCC1CCC(CC1)C2=CC(=C(C=C2)C#N)F |
| InChIKey | MIVNZGVBYWQXDZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile
Property Insights of 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile
The XLogP value of 5.1 indicates that 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile?
The CAS number of 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile is 112026-71-8.
What is the molecular formula of 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile?
The molecular formula of 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile is C15H18FN.
What is the molecular weight of 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile?
The molecular weight of 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile is 231.14233 g/mol.
Where can I buy 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile?
You can request a quote for 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(4-Ethylcyclohexyl)-2-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.