1-Methoxy-2-(trifluoromethyl)benzene
TL;DR: 1-Methoxy-2-(trifluoromethyl)benzene (CAS 16222-42-7) is a chemical compound with molecular formula C8H7F3O and molecular weight 176.0449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-2-(trifluoromethyl)benzene
Also Known As: 2-(Trifluoromethyl)anisole, 1-methoxy-2-(trifluoromethyl)benzene, 2-methoxybenzotrifluoride, trifluoromethylanisole, o-Trifluoromethylanisole
Technical Specifications
| Molecular Formula | C8H7F3O |
| Molecular Weight | 176.0449 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.0449 Da |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
| SMILES | COC1=CC=CC=C1C(F)(F)F |
| InChIKey | BHPJMWUXVOTGQU-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methoxy-2-(trifluoromethyl)benzene
Property Insights of 1-Methoxy-2-(trifluoromethyl)benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxy-2-(trifluoromethyl)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Methoxy-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-2-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methoxy-2-(trifluoromethyl)benzene?
The CAS number of 1-Methoxy-2-(trifluoromethyl)benzene is 16222-42-7.
What is the molecular formula of 1-Methoxy-2-(trifluoromethyl)benzene?
The molecular formula of 1-Methoxy-2-(trifluoromethyl)benzene is C8H7F3O.
What is the molecular weight of 1-Methoxy-2-(trifluoromethyl)benzene?
The molecular weight of 1-Methoxy-2-(trifluoromethyl)benzene is 176.0449 g/mol.
Where can I buy 1-Methoxy-2-(trifluoromethyl)benzene?
You can request a quote for 1-Methoxy-2-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methoxy-2-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Methoxy-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.