6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
TL;DR: 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one (CAS 350-96-9) is a chemical compound with molecular formula C9H12F6O2 and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
Also Known As: 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one, J2.540.580C, 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)he, 2,2-Dimethyl-5-hydroxy-5-(trifluoromethyl)-6,6,6-trifluorohexane-3-one, 3-Hexanone, 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)-
| Molecular Formula | C9H12F6O2 |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.07416 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 350-96-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | VPKPKCOMLYEKLF-UHFFFAOYSA-N |
Product Overview
6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one (CAS 350-96-9), with molecular formula C9H12F6O2 and molecular weight 266.07 g/mol. IUPAC: 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one.
Chemical Property Profile of 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
Property Insights of 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one has 1 hydrogen bond donor(s) and 8 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 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one?
The CAS number of 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one is 350-96-9.
What is the molecular formula of 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one?
The molecular formula of 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one is C9H12F6O2.
What is the molecular weight of 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one?
The molecular weight of 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one is 266.07 g/mol.
Where can I buy 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one?
You can request a quote for 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6,6-Trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.