1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone
TL;DR: 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone (CAS 132719-10-9) is a chemical compound with molecular formula C10H9F3O and molecular weight 202.06055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanone
Also Known As: 3',5'-Dimethyl-2,2,2-trifluoroacetophenone, 1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanone, 1-(3,5-dimethylphenyl)-2,2,2-trifluoroethan-1-one, 3772AD, ETHANONE, 1-(3,5-DIMETHYLPHENYL)-2,2,2-TRIFLUORO-
Technical Specifications
| Molecular Formula | C10H9F3O |
| Molecular Weight | 202.06055 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.06055 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | CC1=CC(=CC(=C1)C(=O)C(F)(F)F)C |
| InChIKey | SOGZINXNLJBXMX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone
Property Insights of 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone
The XLogP value of 3.5 indicates that 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone 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-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone?
The CAS number of 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone is 132719-10-9.
What is the molecular formula of 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone?
The molecular formula of 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone is C10H9F3O.
What is the molecular weight of 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone?
The molecular weight of 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone is 202.06055 g/mol.
Where can I buy 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone?
You can request a quote for 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3,5-Dimethylphenyl)-2,2,2-trifluoroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.