2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile
TL;DR: 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile (CAS 1020252-17-8) is a chemical compound with molecular formula C14H9ClFNO and molecular weight 261.03568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-2-methylphenoxy)-6-fluorobenzonitrile
Also Known As: 2-(4-chloro-2-methylphenoxy)-6-fluorobenzonitrile, 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzenecarbonitrile, 2-(4-chloro-2-methyl-phenoxy)-6-fluoro-benzonitrile
Technical Specifications
| Molecular Formula | C14H9ClFNO |
| Molecular Weight | 261.03568 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.03568 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | CC1=C(C=CC(=C1)Cl)OC2=C(C(=CC=C2)F)C#N |
| InChIKey | GKULZZNWGYNUSD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile
Property Insights of 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile
The XLogP value of 4.3 indicates that 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile?
The CAS number of 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile is 1020252-17-8.
What is the molecular formula of 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile?
The molecular formula of 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile is C14H9ClFNO.
What is the molecular weight of 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile?
The molecular weight of 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile is 261.03568 g/mol.
Where can I buy 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile?
You can request a quote for 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chloro-2-methylphenoxy)-6-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.