2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile
TL;DR: 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile (CAS 15895-68-8) is a chemical compound with molecular formula C8F7N and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzonitrile
Also Known As: 2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzonitrile, 4-Cyanoheptafluortoluol, 4-CYANO-2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE, 4-CYANOTETRAFLUORO-BENZOTRIFLUORIDE, Benzonitrile, 2,3,5,6-tetrafluoro-4-(trifluoromethyl)-
| Molecular Formula | C8F7N |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.9919 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 15895-68-8 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F |
| InChIKey | VMELTIALEZBKQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile (CAS 15895-68-8), with molecular formula C8F7N and molecular weight 242.99 g/mol. IUPAC: 2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzonitrile.
Chemical Property Profile of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile
Property Insights of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile has 0 hydrogen bond donor(s) and 8 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 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile?
The CAS number of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile is 15895-68-8.
What is the molecular formula of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile?
The molecular formula of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile is C8F7N.
What is the molecular weight of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile?
The molecular weight of 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile is 242.99 g/mol.
Where can I buy 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile?
You can request a quote for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.