2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone
TL;DR: 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone (CAS 132734-54-4) is a chemical compound with molecular formula C9H6F4O2 and molecular weight 222.0304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone
Also Known As: 2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone, 3'-Fluoro-4'-methoxy-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethan-1-one, 6003AA, 3/'-Fluoro-4/'-methoxy-2,2,2-trifluoroacetophenone
Technical Specifications
| Molecular Formula | C9H6F4O2 |
| Molecular Weight | 222.0304 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0304 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)C(F)(F)F)F |
| InChIKey | KCKNISJJNZGMMP-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone
Property Insights of 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone 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 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone?
The CAS number of 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone is 132734-54-4.
What is the molecular formula of 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone?
The molecular formula of 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone is C9H6F4O2.
What is the molecular weight of 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone?
The molecular weight of 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone is 222.0304 g/mol.
Where can I buy 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone?
You can request a quote for 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone?
Yes, CoreyChem provides custom synthesis services for 2,2,2-Trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.