2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
TL;DR: 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone (CAS 845823-06-5) is a chemical compound with molecular formula C9H6F4O and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
Also Known As: 2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone, 3'-Fluoro-4'-methyl-2,2,2-trifluoroacetophenone, 4'-Methyl-2,2,2,3'-tetrafluoroacetophenone, 2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethan-1-one, 2,2,2-trifluoro-1-(3-fluoro-4-methyl-phenyl)ethanone
| Molecular Formula | C9H6F4O |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.87912 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.03548 |
| Heavy Atoms | 14 |
| Complexity | 367.56497 |
Chemical Identifiers
| CAS Number | 845823-06-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)C(F)(F)F)F |
Product Overview
2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone (CAS 845823-06-5), with molecular formula C9H6F4O and molecular weight 206.04 g/mol. IUPAC: 2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanone.
Chemical Property Profile of 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
Property Insights of 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone
The XLogP value of 2.87912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone. With a topological polar surface area (TPSA) of 17.07 Ų, 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)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-methylphenyl)ethanone has 0 hydrogen bond donor(s) and 1 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 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone?
The CAS number of 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone is 845823-06-5.
What is the molecular formula of 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone?
The molecular formula of 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone is C9H6F4O.
What is the molecular weight of 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone?
The molecular weight of 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone is 206.04 g/mol.
Where can I buy 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone?
You can request a quote for 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-1-(3-fluoro-4-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.