Hexafluoroisopropyl methyl ether
TL;DR: Hexafluoroisopropyl methyl ether (CAS 13171-18-1) is a chemical compound with molecular formula C4H4F6O and molecular weight 182.01663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,3,3,3-hexafluoro-2-methoxypropane
Also Known As: hexafluoroisopropyl methyl ether, Isoindoklon, Iso-indoklon, isoflurothyl, 1,1,1,3,3,3-Hexafluoro-2-methoxypropane
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4F6O |
| Molecular Weight | 182.01663 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.01663 Da |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
| SMILES | COC(C(F)(F)F)C(F)(F)F |
| InChIKey | VNXYDFNVQBICRO-UHFFFAOYSA-N |
Chemical Property Profile of Hexafluoroisopropyl methyl ether
Property Insights of Hexafluoroisopropyl methyl ether
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexafluoroisopropyl methyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Hexafluoroisopropyl methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexafluoroisopropyl methyl ether has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexafluoroisopropyl methyl ether?
The CAS number of Hexafluoroisopropyl methyl ether is 13171-18-1.
What is the molecular formula of Hexafluoroisopropyl methyl ether?
The molecular formula of Hexafluoroisopropyl methyl ether is C4H4F6O.
What is the molecular weight of Hexafluoroisopropyl methyl ether?
The molecular weight of Hexafluoroisopropyl methyl ether is 182.01663 g/mol.
Where can I buy Hexafluoroisopropyl methyl ether?
You can request a quote for Hexafluoroisopropyl methyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexafluoroisopropyl methyl ether?
Yes, CoreyChem provides custom synthesis services for Hexafluoroisopropyl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.