Hexafluoroacetone Hydrate
TL;DR: Hexafluoroacetone Hydrate (CAS 677-71-4) 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-hexafluoropropane-2,2-diol
Also Known As: Hexafluoroacetone hydrate, 5yas, Hexafluoroacetone, hexafluoropropane-2,2-diol, Hexafluoro-2,2-propanediol
| Molecular Formula | C3H2F6O2 |
|---|---|
| Molecular Weight | 184.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.9959 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 677-71-4 |
|---|---|
| SMILES | C(C(F)(F)F)(C(F)(F)F)(O)O |
| InChIKey | AKVXSYUWYXOLMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexafluoroacetone Hydrate (CAS 677-71-4), with molecular formula C3H2F6O2 and molecular weight 184.00 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropane-2,2-diol.
Chemical Property Profile of Hexafluoroacetone Hydrate
Property Insights of Hexafluoroacetone Hydrate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexafluoroacetone Hydrate. With a topological polar surface area (TPSA) of 40.5 Ų, Hexafluoroacetone Hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexafluoroacetone Hydrate 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
Frequently Asked Questions
What is the CAS number of Hexafluoroacetone Hydrate?
The CAS number of Hexafluoroacetone Hydrate is 677-71-4.
What is the molecular formula of Hexafluoroacetone Hydrate?
The molecular formula of Hexafluoroacetone Hydrate is C3H2F6O2.
What is the molecular weight of Hexafluoroacetone Hydrate?
The molecular weight of Hexafluoroacetone Hydrate is 184.00 g/mol.
Where can I buy Hexafluoroacetone Hydrate?
You can request a quote for Hexafluoroacetone Hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexafluoroacetone Hydrate?
Yes, KEHONG BIO provides custom synthesis services for Hexafluoroacetone Hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.