2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
TL;DR: 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile (CAS 175204-04-3) is a chemical compound with molecular formula C11H10F3NO2 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
Also Known As: 2-ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile, Maybridge1_005505, DivK1c_001793, CDS1_000753, 5759AD
| Molecular Formula | C11H10F3NO2 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 2.89808 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.06636 |
| Heavy Atoms | 17 |
| Complexity | 423.7052 |
Chemical Identifiers
| CAS Number | 175204-04-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC=C1)OCC(F)(F)F)C#N |
Product Overview
2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile (CAS 175204-04-3), with molecular formula C11H10F3NO2 and molecular weight 245.07 g/mol. IUPAC: 2-ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile.
Chemical Property Profile of 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
Property Insights of 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
The XLogP value of 2.89808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxy-6-(2,2,2-trifluoroethoxy)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-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
The CAS number of 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is 175204-04-3.
What is the molecular formula of 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
The molecular formula of 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is C11H10F3NO2.
What is the molecular weight of 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
The molecular weight of 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is 245.07 g/mol.
Where can I buy 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
You can request a quote for 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.