2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile
TL;DR: 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile (CAS 119584-74-6) is a chemical compound with molecular formula C9H5F4NO and molecular weight 219.03073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile
Also Known As: 2-fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile, Maybridge1_005503, 2-fluoro-6-ethoxybenzonitrile, DivK1c_001791, 2-fluoro-6-(2,2,2-trifluoroethoxy)benzenecarbonitrile
Technical Specifications
| Molecular Formula | C9H5F4NO |
| Molecular Weight | 219.03073 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.03073 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)OCC(F)(F)F |
| InChIKey | KPUXDDKZMLVAEI-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile
Property Insights of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile has 0 hydrogen bond donor(s) and 6 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-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile?
The CAS number of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is 119584-74-6.
What is the molecular formula of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile?
The molecular formula of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is C9H5F4NO.
What is the molecular weight of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile?
The molecular weight of 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile is 219.03073 g/mol.
Where can I buy 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile?
You can request a quote for 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.