Hexafluoroacetone monohydrate
TL;DR: Hexafluoroacetone monohydrate (CAS 10543-95-0) is a chemical compound with molecular formula C3H2F6O2 and molecular weight 184.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C3H2F6O2 |
|---|---|
| Molecular Weight | 184.00 g/mol |
| LogP | 0.86 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.9959 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 10543-95-0 |
|---|---|
| SMILES | C(=O)(C(F)(F)F)C(F)(F)F.O |
| InChIKey | HEBNOKIGWWEWCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexafluoroacetone monohydrate (CAS 10543-95-0), with molecular formula C3H2F6O2 and molecular weight 184.00 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropan-2-one;hydrate.
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
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 184.00 g/mol.
Where can I buy Hexafluoroacetone monohydrate?
You can request a quote for Hexafluoroacetone monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexafluoroacetone monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Hexafluoroacetone monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.