Hexafluoroacetone monohydrate
TL;DR: Hexafluoroacetone monohydrate (CAS 10543-95-0) is a chemical compound with molecular formula C3H2F6O2 and molecular weight 183.9959 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,3,3,3-hexafluoropropan-2-one;hydrate
Also Known As: Hexafluoroacetone hydrate, 2-Propanone, hexafluoro-, hydrate, Hexafluoroacetone deuterate, Perfluoroacetone trihydrate, Acetone, hexafluoro-, hydrate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H2F6O2 |
| Molecular Weight | 183.9959 g/mol |
| XLogP | 0.86 |
| Topological Polar Surface Area (TPSA) | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.9959 Da |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
| SMILES | C(=O)(C(F)(F)F)C(F)(F)F.O |
| InChIKey | HEBNOKIGWWEWCN-UHFFFAOYSA-N |
Chemical Property Profile of Hexafluoroacetone monohydrate
Property Insights of Hexafluoroacetone monohydrate
The XLogP value of 0.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexafluoroacetone monohydrate. With a topological polar surface area (TPSA) of 18.1 Ų, Hexafluoroacetone monohydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexafluoroacetone monohydrate 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
What is the CAS number of Hexafluoroacetone monohydrate?
The CAS number of Hexafluoroacetone monohydrate is 10543-95-0.
What is the molecular formula of Hexafluoroacetone monohydrate?
The molecular formula of Hexafluoroacetone monohydrate is C3H2F6O2.
What is the molecular weight of Hexafluoroacetone monohydrate?
The molecular weight of Hexafluoroacetone monohydrate is 183.9959 g/mol.
Where can I buy Hexafluoroacetone monohydrate?
You can request a quote for Hexafluoroacetone monohydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexafluoroacetone monohydrate?
Yes, CoreyChem provides custom synthesis services for Hexafluoroacetone monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.