Tetrafluoroterephthalonitrile
TL;DR: Tetrafluoroterephthalonitrile (CAS 1835-49-0) 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.
2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile
Also Known As: Tetrafluoroterephthalonitrile, 2,3,5,6-Tetrafluoroterephthalonitrile, Diamond 2031, Perfluoroterephthalonitrile, Terephthalonitrile, tetrafluoro-
| 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 | 266.0 |
Chemical Identifiers
| CAS Number | 1835-49-0 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F |
| InChIKey | PCRSJGWFEMHHEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrafluoroterephthalonitrile (CAS 1835-49-0), with molecular formula C8F4N2 and molecular weight 200.00 g/mol. IUPAC: 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile.
Chemical Property Profile of Tetrafluoroterephthalonitrile
Property Insights of Tetrafluoroterephthalonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrafluoroterephthalonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Tetrafluoroterephthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrafluoroterephthalonitrile 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 Tetrafluoroterephthalonitrile?
The CAS number of Tetrafluoroterephthalonitrile is 1835-49-0.
What is the molecular formula of Tetrafluoroterephthalonitrile?
The molecular formula of Tetrafluoroterephthalonitrile is C8F4N2.
What is the molecular weight of Tetrafluoroterephthalonitrile?
The molecular weight of Tetrafluoroterephthalonitrile is 200.00 g/mol.
Where can I buy Tetrafluoroterephthalonitrile?
You can request a quote for Tetrafluoroterephthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrafluoroterephthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for Tetrafluoroterephthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.