3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one
TL;DR: 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one (CAS 161643-63-6) is a chemical compound with molecular formula C10H9F3O3 and molecular weight 234.05038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,3-trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one
Also Known As: Maybridge1_003950, 3,3,3-trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one, J1.077.012B, 3,3,3-trifluoro-2,2-dihydroxy-1-p-tolylpropan-1-one, 3,3,3-trifluoro-2,2-dihydroxy-1-(p-tolyl)propan-1-one
Technical Specifications
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.05038 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.05038 Da |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C(C(F)(F)F)(O)O |
| InChIKey | JTAKWPJCSZPSGW-UHFFFAOYSA-N |
Chemical Property Profile of 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one
Property Insights of 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one. With a topological polar surface area (TPSA) of 57.5 Ų, 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one has 2 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 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one?
The CAS number of 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one is 161643-63-6.
What is the molecular formula of 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one?
The molecular formula of 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one is C10H9F3O3.
What is the molecular weight of 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one?
The molecular weight of 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one is 234.05038 g/mol.
Where can I buy 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one?
You can request a quote for 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one?
Yes, CoreyChem provides custom synthesis services for 3,3,3-Trifluoro-2,2-dihydroxy-1-(4-methylphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.