2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one
TL;DR: 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one (CAS 126631-19-4) is a chemical compound with molecular formula C14H15F3O2 and molecular weight 272.10242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one
Also Known As: BIM-0024731.P001, 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)oxan-4-one, AB00089075-01, 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one, 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)dihydro-2H-pyran-4(3H)-one
Technical Specifications
| Molecular Formula | C14H15F3O2 |
| Molecular Weight | 272.10242 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.10242 Da |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
| SMILES | CC1(CC(=O)CC(O1)(C2=CC=CC=C2)C(F)(F)F)C |
| InChIKey | ADUYBQMUWKTOQB-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one
Property Insights of 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one has 0 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 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
The CAS number of 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one is 126631-19-4.
What is the molecular formula of 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
The molecular formula of 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one is C14H15F3O2.
What is the molecular weight of 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
The molecular weight of 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one is 272.10242 g/mol.
Where can I buy 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
You can request a quote for 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
Yes, CoreyChem provides custom synthesis services for 2,2-dimethyl-6-phenyl-6-(trifluoromethyl)tetrahydro-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.