2,3,5,6-Tetrafluorobenzonitrile
TL;DR: 2,3,5,6-Tetrafluorobenzonitrile (CAS 5216-17-1) is a chemical compound with molecular formula C7HF4N and molecular weight 175.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrafluorobenzonitrile
Also Known As: 2,3,5,6-Tetrafluorobenzonitrile, 4H-Perfluorobenzonitrile, 2,3,5,6-tetrafluoro-benzonitrile, 2,3,5,6-tetrafluorobenzenecarbonitrile, 2,3,5,6-Tetrafluorobenzonitrile_x000D_
| Molecular Formula | C7HF4N |
|---|---|
| Molecular Weight | 175.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.00452 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 5216-17-1 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1F)F)C#N)F)F |
| InChIKey | IOQMWOBRUDNEOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5,6-Tetrafluorobenzonitrile (CAS 5216-17-1), with molecular formula C7HF4N and molecular weight 175.00 g/mol. IUPAC: 2,3,5,6-tetrafluorobenzonitrile.
Chemical Property Profile of 2,3,5,6-Tetrafluorobenzonitrile
Property Insights of 2,3,5,6-Tetrafluorobenzonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6-Tetrafluorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3,5,6-Tetrafluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrafluorobenzonitrile has 0 hydrogen bond donor(s) and 5 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-Tetrafluorobenzonitrile?
The CAS number of 2,3,5,6-Tetrafluorobenzonitrile is 5216-17-1.
What is the molecular formula of 2,3,5,6-Tetrafluorobenzonitrile?
The molecular formula of 2,3,5,6-Tetrafluorobenzonitrile is C7HF4N.
What is the molecular weight of 2,3,5,6-Tetrafluorobenzonitrile?
The molecular weight of 2,3,5,6-Tetrafluorobenzonitrile is 175.00 g/mol.
Where can I buy 2,3,5,6-Tetrafluorobenzonitrile?
You can request a quote for 2,3,5,6-Tetrafluorobenzonitrile 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-Tetrafluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrafluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.