1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone
TL;DR: 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone (CAS 500868-98-4) 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.
1,1,1-trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)heptan-4-one
Also Known As: 1,1,1-TRIFLUORO-2-HYDROXY-6-METHYL-2-(TRIFLUOROMETHYL)-4-HEPTANONE, J2.716.425K, 1,1,1-trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)heptan-4-one, 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)heptane-4-one
| Molecular Formula | C9H12F6O2 |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.07416 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 500868-98-4 |
|---|---|
| SMILES | CC(C)CC(=O)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | ZSXNDQFSLIBMEV-UHFFFAOYSA-N |
Product Overview
1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone (CAS 500868-98-4), with molecular formula C9H12F6O2 and molecular weight 266.07 g/mol. IUPAC: 1,1,1-trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)heptan-4-one.
Chemical Property Profile of 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone
Property Insights of 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone. With a topological polar surface area (TPSA) of 37.3 Ų, 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone 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 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone?
The CAS number of 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone is 500868-98-4.
What is the molecular formula of 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone?
The molecular formula of 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone is C9H12F6O2.
What is the molecular weight of 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone?
The molecular weight of 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone is 266.07 g/mol.
Where can I buy 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone?
You can request a quote for 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-2-hydroxy-6-methyl-2-(trifluoromethyl)-4-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.