2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one
TL;DR: 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one (CAS 1736-06-7) is a chemical compound with molecular formula C9H7F3O and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(3-methylphenyl)ethanone
Also Known As: 2,2,2-trifluoro-1-(m-tolyl)ethanone, 3'-Methyl-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(3-methylphenyl)ethanone, Ethanone, 2,2,2-trifluoro-1-(3-methylphenyl)-, 2,2,2-trifluoro-1-m-tolylethanone
| Molecular Formula | C9H7F3O |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 2.74002 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.0449 |
| Heavy Atoms | 13 |
| Complexity | 327.87686 |
Chemical Identifiers
| CAS Number | 1736-06-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)C(F)(F)F |
Product Overview
2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one (CAS 1736-06-7), with molecular formula C9H7F3O and molecular weight 188.04 g/mol. IUPAC: 2,2,2-trifluoro-1-(3-methylphenyl)ethanone.
Chemical Property Profile of 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one
Property Insights of 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one
The XLogP value of 2.74002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one. With a topological polar surface area (TPSA) of 17.07 Ų, 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one 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-methylphenyl)ethan-1-one?
The CAS number of 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one is 1736-06-7.
What is the molecular formula of 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one?
The molecular formula of 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one is C9H7F3O.
What is the molecular weight of 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one?
The molecular weight of 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one is 188.04 g/mol.
Where can I buy 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one?
You can request a quote for 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one 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-methylphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-1-(3-methylphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.