2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one
TL;DR: 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one (CAS 212615-80-0) is a chemical compound with molecular formula C8H11F3O3 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)oxan-4-one
Also Known As: TimTec1_005781, 2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)oxan-4-one, J1.061.717K, 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one, Oxan-4-one, 2-trifluoromethyl-2-hydroxy-5,5-dimethyl-
| Molecular Formula | C8H11F3O3 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.06602 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 212615-80-0 |
|---|---|
| SMILES | CC1(COC(CC1=O)(C(F)(F)F)O)C |
| InChIKey | MFAVICJVOGMJEP-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one (CAS 212615-80-0), with molecular formula C8H11F3O3 and molecular weight 212.07 g/mol. IUPAC: 2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)oxan-4-one.
Chemical Property Profile of 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one
Property Insights of 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one has 1 hydrogen bond donor(s) and 6 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-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
The CAS number of 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one is 212615-80-0.
What is the molecular formula of 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
The molecular formula of 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one is C8H11F3O3.
What is the molecular weight of 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
The molecular weight of 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one is 212.07 g/mol.
Where can I buy 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
You can request a quote for 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5,5-dimethyl-2-(trifluoromethyl)tetrahydro-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.