1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one
TL;DR: 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one (CAS 163266-02-2) is a chemical compound with molecular formula C11H9F3O2 and molecular weight 230.05547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one
Technical Specifications
| Molecular Formula | C11H9F3O2 |
| Molecular Weight | 230.05547 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.05547 Da |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
| SMILES | CC1=CC=CC=C1C(=CC(=O)C(F)(F)F)O |
| InChIKey | PMTWTVJCEDZMSA-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one
Property Insights of 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one
The XLogP value of 3.5 indicates that 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one?
The CAS number of 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one is 163266-02-2.
What is the molecular formula of 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one?
The molecular formula of 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one is C11H9F3O2.
What is the molecular weight of 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one?
The molecular weight of 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one is 230.05547 g/mol.
Where can I buy 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one?
You can request a quote for 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trifluoro-4-hydroxy-4-(2-methylphenyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.