Octafluoroadipodinitrile
TL;DR: Octafluoroadipodinitrile (CAS 376-53-4) is a chemical compound with molecular formula C6F8N2 and molecular weight 251.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,5,5-octafluorohexanedinitrile
Also Known As: Octafluoroadiponitrile, Perfluoroadiponitrile, Adiponitrile, perfluoro, Octafluorohexanedinitrile, Octafluoroadipodinitrile
| Molecular Formula | C6F8N2 |
|---|---|
| Molecular Weight | 251.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.99338 |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 376-53-4 |
|---|---|
| SMILES | C(#N)C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F |
| InChIKey | PZIVXXORSILYOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octafluoroadipodinitrile (CAS 376-53-4), with molecular formula C6F8N2 and molecular weight 251.99 g/mol. IUPAC: 2,2,3,3,4,4,5,5-octafluorohexanedinitrile.
Chemical Property Profile of Octafluoroadipodinitrile
Property Insights of Octafluoroadipodinitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octafluoroadipodinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Octafluoroadipodinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octafluoroadipodinitrile has 0 hydrogen bond donor(s) and 10 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 Octafluoroadipodinitrile?
The CAS number of Octafluoroadipodinitrile is 376-53-4.
What is the molecular formula of Octafluoroadipodinitrile?
The molecular formula of Octafluoroadipodinitrile is C6F8N2.
What is the molecular weight of Octafluoroadipodinitrile?
The molecular weight of Octafluoroadipodinitrile is 251.99 g/mol.
Where can I buy Octafluoroadipodinitrile?
You can request a quote for Octafluoroadipodinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octafluoroadipodinitrile?
Yes, KEHONG BIO provides custom synthesis services for Octafluoroadipodinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.