4,4,5,5,6,6,6-Heptafluorohexanoate
TL;DR: 4,4,5,5,6,6,6-Heptafluorohexanoate (CAS 1169706-83-5) is a chemical compound with molecular formula C6H4F7O2- and molecular weight 241.00995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,5,5,6,6,6-heptafluorohexanoate
Also Known As: 4,4,5,5,6,6,6-heptafluorohexanoate, 3:3 Fluorotelomer carboxylate, ion(1-)
Technical Specifications
| Molecular Formula | C6H4F7O2- |
| Molecular Weight | 241.00995 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.00995 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | C(CC(C(C(F)(F)F)(F)F)(F)F)C(=O)[O-] |
| InChIKey | ISFKSWMQWIRDNC-UHFFFAOYSA-M |
Chemical Property Profile of 4,4,5,5,6,6,6-Heptafluorohexanoate
Property Insights of 4,4,5,5,6,6,6-Heptafluorohexanoate
The XLogP value of 3.2 indicates that 4,4,5,5,6,6,6-Heptafluorohexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.1 Ų, 4,4,5,5,6,6,6-Heptafluorohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,5,5,6,6,6-Heptafluorohexanoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4,5,5,6,6,6-Heptafluorohexanoate?
The CAS number of 4,4,5,5,6,6,6-Heptafluorohexanoate is 1169706-83-5.
What is the molecular formula of 4,4,5,5,6,6,6-Heptafluorohexanoate?
The molecular formula of 4,4,5,5,6,6,6-Heptafluorohexanoate is C6H4F7O2-.
What is the molecular weight of 4,4,5,5,6,6,6-Heptafluorohexanoate?
The molecular weight of 4,4,5,5,6,6,6-Heptafluorohexanoate is 241.00995 g/mol.
Where can I buy 4,4,5,5,6,6,6-Heptafluorohexanoate?
You can request a quote for 4,4,5,5,6,6,6-Heptafluorohexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4,5,5,6,6,6-Heptafluorohexanoate?
Yes, CoreyChem provides custom synthesis services for 4,4,5,5,6,6,6-Heptafluorohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.