4-(Difluoromethoxy)benzonitrile
TL;DR: 4-(Difluoromethoxy)benzonitrile (CAS 55805-10-2) is a chemical compound with molecular formula C8H5F2NO and molecular weight 169.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(difluoromethoxy)benzonitrile
Also Known As: 4-(difluoromethoxy)benzonitrile, 4- BENZONITRILE, 4-(Difluoromethyl)benzonitrile, 4-difluoromethoxybenzonitrile, Benzonitrile,4-(difluoromethoxy)-
| Molecular Formula | C8H5F2NO |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 2.15968 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.03392 |
| Heavy Atoms | 12 |
| Complexity | 288.92133 |
Chemical Identifiers
| CAS Number | 55805-10-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OC(F)F |
Product Overview
4-(Difluoromethoxy)benzonitrile (CAS 55805-10-2), with molecular formula C8H5F2NO and molecular weight 169.03 g/mol. IUPAC: 4-(difluoromethoxy)benzonitrile.
Chemical Property Profile of 4-(Difluoromethoxy)benzonitrile
Property Insights of 4-(Difluoromethoxy)benzonitrile
The XLogP value of 2.15968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Difluoromethoxy)benzonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 4-(Difluoromethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Difluoromethoxy)benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Difluoromethoxy)benzonitrile?
The CAS number of 4-(Difluoromethoxy)benzonitrile is 55805-10-2.
What is the molecular formula of 4-(Difluoromethoxy)benzonitrile?
The molecular formula of 4-(Difluoromethoxy)benzonitrile is C8H5F2NO.
What is the molecular weight of 4-(Difluoromethoxy)benzonitrile?
The molecular weight of 4-(Difluoromethoxy)benzonitrile is 169.03 g/mol.
Where can I buy 4-(Difluoromethoxy)benzonitrile?
You can request a quote for 4-(Difluoromethoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Difluoromethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Difluoromethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.