4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one
TL;DR: 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one (CAS 261503-76-8) is a chemical compound with molecular formula C7H5F9O and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-2-one
Also Known As: 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-2-one, 1,1,1,2,2,3-Hexafluoro-3-trifluoromethyl-5-hexanone
| Molecular Formula | C7H5F9O |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 3.4337 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.01965 |
| Heavy Atoms | 17 |
| Complexity | 301.4467 |
Chemical Identifiers
| CAS Number | 261503-76-8 |
|---|---|
| SMILES | CC(=O)CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F |
Product Overview
4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one (CAS 261503-76-8), with molecular formula C7H5F9O and molecular weight 276.02 g/mol. IUPAC: 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hexan-2-one.
Chemical Property Profile of 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one
Property Insights of 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one
The XLogP value of 3.4337 indicates that 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one 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 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one?
The CAS number of 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one is 261503-76-8.
What is the molecular formula of 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one?
The molecular formula of 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one is C7H5F9O.
What is the molecular weight of 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one?
The molecular weight of 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one is 276.02 g/mol.
Where can I buy 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one?
You can request a quote for 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.