2-Fluoro-4-(4-propylcyclohexyl)benzonitrile
TL;DR: 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile (CAS 106022-52-0) is a chemical compound with molecular formula C16H20FN and molecular weight 245.15797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-4-(4-propylcyclohexyl)benzonitrile
Also Known As: 3cHFCP, 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile, 4-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUOROBENZONITRILE, 2-Fluoro-4-((1s,4r)-4-propylcyclohexyl)benzonitrile, -fluoro-4-(4-propylcyclohexyl)benzonitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H20FN |
| Molecular Weight | 245.15797 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.15797 Da |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
| SMILES | CCCC1CCC(CC1)C2=CC(=C(C=C2)C#N)F |
| InChIKey | MEIZMSPIBFTTTE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile
Property Insights of 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile
The XLogP value of 5.6 indicates that 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile 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 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile?
The CAS number of 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile is 106022-52-0.
What is the molecular formula of 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile?
The molecular formula of 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile is C16H20FN.
What is the molecular weight of 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile?
The molecular weight of 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile is 245.15797 g/mol.
Where can I buy 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile?
You can request a quote for 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-4-(4-propylcyclohexyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.