Tetrafluoroisophthalonitrile
TL;DR: Tetrafluoroisophthalonitrile (CAS 2377-81-3) is a chemical compound with molecular formula C8F4N2 and molecular weight 200.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile
Also Known As: Tetrafluoroisophthalonitrile, 2,4,5,6-Tetrafluoroisophthalonitrile, Perfluoroisophthalonitrile, 2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile, tetrafluoroisopthalonitrile
| Molecular Formula | C8F4N2 |
|---|---|
| Molecular Weight | 200.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.99976 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 2377-81-3 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)F)C#N)F |
| InChIKey | WVHMPQKZPHOCRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrafluoroisophthalonitrile (CAS 2377-81-3), with molecular formula C8F4N2 and molecular weight 200.00 g/mol. IUPAC: 2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile.
Chemical Property Profile of Tetrafluoroisophthalonitrile
Property Insights of Tetrafluoroisophthalonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrafluoroisophthalonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Tetrafluoroisophthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrafluoroisophthalonitrile has 0 hydrogen bond donor(s) and 6 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 Tetrafluoroisophthalonitrile?
The CAS number of Tetrafluoroisophthalonitrile is 2377-81-3.
What is the molecular formula of Tetrafluoroisophthalonitrile?
The molecular formula of Tetrafluoroisophthalonitrile is C8F4N2.
What is the molecular weight of Tetrafluoroisophthalonitrile?
The molecular weight of Tetrafluoroisophthalonitrile is 200.00 g/mol.
Where can I buy Tetrafluoroisophthalonitrile?
You can request a quote for Tetrafluoroisophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrafluoroisophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for Tetrafluoroisophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.