1,1,1,4,4,4-Hexafluoro-2,3-butanedione
TL;DR: 1,1,1,4,4,4-Hexafluoro-2,3-butanedione (CAS 685-24-5) is a chemical compound with molecular formula C4F6O2 and molecular weight 193.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,4,4,4-hexafluorobutane-2,3-dione
Also Known As: 1,1,1,4,4,4-hexafluorobutane-2,3-dione, Hexafluorobiacetyl, hexafluorobutane-2,3-dione, 1,1,1,4,4,4-hexafluoro-2,3-butanedione, 1,1,4,4,4-Hexafluorobutane-2,3-dione
| Molecular Formula | C4F6O2 |
|---|---|
| Molecular Weight | 193.98 g/mol |
| LogP | 1.2492 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.98026 |
| Heavy Atoms | 12 |
| Complexity | 186.56842 |
Chemical Identifiers
| CAS Number | 685-24-5 |
|---|---|
| SMILES | C(=O)(C(=O)C(F)(F)F)C(F)(F)F |
Product Overview
1,1,1,4,4,4-Hexafluoro-2,3-butanedione (CAS 685-24-5), with molecular formula C4F6O2 and molecular weight 193.98 g/mol. IUPAC: 1,1,1,4,4,4-hexafluorobutane-2,3-dione.
Chemical Property Profile of 1,1,1,4,4,4-Hexafluoro-2,3-butanedione
Property Insights of 1,1,1,4,4,4-Hexafluoro-2,3-butanedione
The XLogP value of 1.2492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,4,4,4-Hexafluoro-2,3-butanedione. With a topological polar surface area (TPSA) of 34.14 Ų, 1,1,1,4,4,4-Hexafluoro-2,3-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,4,4,4-Hexafluoro-2,3-butanedione has 0 hydrogen bond donor(s) and 2 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 1,1,1,4,4,4-Hexafluoro-2,3-butanedione?
The CAS number of 1,1,1,4,4,4-Hexafluoro-2,3-butanedione is 685-24-5.
What is the molecular formula of 1,1,1,4,4,4-Hexafluoro-2,3-butanedione?
The molecular formula of 1,1,1,4,4,4-Hexafluoro-2,3-butanedione is C4F6O2.
What is the molecular weight of 1,1,1,4,4,4-Hexafluoro-2,3-butanedione?
The molecular weight of 1,1,1,4,4,4-Hexafluoro-2,3-butanedione is 193.98 g/mol.
Where can I buy 1,1,1,4,4,4-Hexafluoro-2,3-butanedione?
You can request a quote for 1,1,1,4,4,4-Hexafluoro-2,3-butanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,4,4,4-Hexafluoro-2,3-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,4,4,4-Hexafluoro-2,3-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.