2,6-Difluoro-4-methoxybenzonitrile
TL;DR: 2,6-Difluoro-4-methoxybenzonitrile (CAS 123843-66-3) is a chemical compound with molecular formula C8H5F2NO and molecular weight 169.03392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-difluoro-4-methoxybenzonitrile
Also Known As: 2,6-Difluoro-4-methoxybenzonitrile, 2,6-difluoro-4-methoxy-benzonitrile, 4-Cyano-3,5-difluoroanisole, Benzonitrile, 2,6-difluoro-4-methoxy-, Benzonitrile,2,6-difluoro-4-methoxy-
Technical Specifications
| Molecular Formula | C8H5F2NO |
| Molecular Weight | 169.03392 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.03392 Da |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| SMILES | COC1=CC(=C(C(=C1)F)C#N)F |
| InChIKey | CMGFDVIQHBAJHT-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Difluoro-4-methoxybenzonitrile
Property Insights of 2,6-Difluoro-4-methoxybenzonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Difluoro-4-methoxybenzonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2,6-Difluoro-4-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Difluoro-4-methoxybenzonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Difluoro-4-methoxybenzonitrile?
The CAS number of 2,6-Difluoro-4-methoxybenzonitrile is 123843-66-3.
What is the molecular formula of 2,6-Difluoro-4-methoxybenzonitrile?
The molecular formula of 2,6-Difluoro-4-methoxybenzonitrile is C8H5F2NO.
What is the molecular weight of 2,6-Difluoro-4-methoxybenzonitrile?
The molecular weight of 2,6-Difluoro-4-methoxybenzonitrile is 169.03392 g/mol.
Where can I buy 2,6-Difluoro-4-methoxybenzonitrile?
You can request a quote for 2,6-Difluoro-4-methoxybenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Difluoro-4-methoxybenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2,6-Difluoro-4-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.