5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
TL;DR: 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol (CAS 101931-56-0) is a chemical compound with molecular formula C6H7ClF6O2 and molecular weight 260.00388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
Also Known As: 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)-2,4-pentanediol, 5-chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol, 2,4-Pentanediol, 5-chloro-1,1,1-trifluoro-2-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C6H7ClF6O2 |
| Molecular Weight | 260.00388 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.00388 Da |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
| SMILES | C(C(CCl)O)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | GAOZSJYNOQPCSY-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
Property Insights of 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol?
The CAS number of 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol is 101931-56-0.
What is the molecular formula of 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol?
The molecular formula of 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol is C6H7ClF6O2.
What is the molecular weight of 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol?
The molecular weight of 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol is 260.00388 g/mol.
Where can I buy 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol?
You can request a quote for 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.