2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
TL;DR: 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile (CAS 175204-05-4) is a chemical compound with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)benzonitrile
Also Known As: 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile, Maybridge1_005549, DivK1c_001837, 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)-benzonitrile, CDS1_000797
| Molecular Formula | C12H12F3NO2 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 3.28658 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.082 |
| Heavy Atoms | 18 |
| Complexity | 449.61624 |
Chemical Identifiers
| CAS Number | 175204-05-4 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1C#N)OCC(F)(F)F |
Product Overview
2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile (CAS 175204-05-4), with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol. IUPAC: 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)benzonitrile.
Chemical Property Profile of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
Property Insights of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile
The XLogP value of 3.28658 indicates that 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropoxy-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-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
The CAS number of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is 175204-05-4.
What is the molecular formula of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
The molecular formula of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is C12H12F3NO2.
What is the molecular weight of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
The molecular weight of 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile is 259.08 g/mol.
Where can I buy 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
You can request a quote for 2-Isopropoxy-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-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropoxy-6-(2,2,2-trifluoroethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.