Bis(hexafluoroacetonyl)acetone
TL;DR: Bis(hexafluoroacetonyl)acetone (CAS 30902-53-5) is a chemical compound with molecular formula C9H2F12O and molecular weight 353.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)hepta-2,5-dien-4-one
Also Known As: Bis(hexafluoroacetonyl)acetone, 2,5-Heptadien-4-one, 1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)-, 1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)hepta-2,5-dien-4-one, RefChem:120230
| Molecular Formula | C9H2F12O |
|---|---|
| Molecular Weight | 353.99 g/mol |
| LogP | 4.6575 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.9914 |
| Heavy Atoms | 22 |
| Complexity | 404.68723 |
Chemical Identifiers
| CAS Number | 30902-53-5 |
|---|---|
| SMILES | C(=C(C(F)(F)F)C(F)(F)F)C(=O)C=C(C(F)(F)F)C(F)(F)F |
Product Overview
Bis(hexafluoroacetonyl)acetone (CAS 30902-53-5), with molecular formula C9H2F12O and molecular weight 353.99 g/mol. IUPAC: 1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)hepta-2,5-dien-4-one.
Chemical Property Profile of Bis(hexafluoroacetonyl)acetone
Property Insights of Bis(hexafluoroacetonyl)acetone
The XLogP value of 4.6575 indicates that Bis(hexafluoroacetonyl)acetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Bis(hexafluoroacetonyl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(hexafluoroacetonyl)acetone has 0 hydrogen bond donor(s) and 1 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 Bis(hexafluoroacetonyl)acetone?
The CAS number of Bis(hexafluoroacetonyl)acetone is 30902-53-5.
What is the molecular formula of Bis(hexafluoroacetonyl)acetone?
The molecular formula of Bis(hexafluoroacetonyl)acetone is C9H2F12O.
What is the molecular weight of Bis(hexafluoroacetonyl)acetone?
The molecular weight of Bis(hexafluoroacetonyl)acetone is 353.99 g/mol.
Where can I buy Bis(hexafluoroacetonyl)acetone?
You can request a quote for Bis(hexafluoroacetonyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(hexafluoroacetonyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for Bis(hexafluoroacetonyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.