2-Methoxy-5-(trifluoromethoxy)benzonitrile
TL;DR: 2-Methoxy-5-(trifluoromethoxy)benzonitrile (CAS 886500-03-4) is a chemical compound with molecular formula C9H6F3NO2 and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-(trifluoromethoxy)benzonitrile
Also Known As: 2-methoxy-5-(trifluoromethoxy)benzonitrile, 2-Methoxy-5-trifluoromethoxy-benzonitrile, 2-methoxy-5-trifluoromethoxybenzonitrile, 2-Cyano-4-(trifluoromethoxy)anisole, 2-(Methoxy)-5-(trifluoromethoxy)benzonitrile
| Molecular Formula | C9H6F3NO2 |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 2.46548 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.03506 |
| Heavy Atoms | 15 |
| Complexity | 395.32443 |
Chemical Identifiers
| CAS Number | 886500-03-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)OC(F)(F)F)C#N |
Product Overview
2-Methoxy-5-(trifluoromethoxy)benzonitrile (CAS 886500-03-4), with molecular formula C9H6F3NO2 and molecular weight 217.04 g/mol. IUPAC: 2-methoxy-5-(trifluoromethoxy)benzonitrile.
Chemical Property Profile of 2-Methoxy-5-(trifluoromethoxy)benzonitrile
Property Insights of 2-Methoxy-5-(trifluoromethoxy)benzonitrile
The XLogP value of 2.46548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-5-(trifluoromethoxy)benzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2-Methoxy-5-(trifluoromethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-5-(trifluoromethoxy)benzonitrile 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
Frequently Asked Questions
What is the CAS number of 2-Methoxy-5-(trifluoromethoxy)benzonitrile?
The CAS number of 2-Methoxy-5-(trifluoromethoxy)benzonitrile is 886500-03-4.
What is the molecular formula of 2-Methoxy-5-(trifluoromethoxy)benzonitrile?
The molecular formula of 2-Methoxy-5-(trifluoromethoxy)benzonitrile is C9H6F3NO2.
What is the molecular weight of 2-Methoxy-5-(trifluoromethoxy)benzonitrile?
The molecular weight of 2-Methoxy-5-(trifluoromethoxy)benzonitrile is 217.04 g/mol.
Where can I buy 2-Methoxy-5-(trifluoromethoxy)benzonitrile?
You can request a quote for 2-Methoxy-5-(trifluoromethoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-5-(trifluoromethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-5-(trifluoromethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.