1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-
TL;DR: 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- (CAS 1929-68-6) is a chemical compound with molecular formula C8ClF3N2 and molecular weight 215.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3,5,6-trifluorobenzene-1,4-dicarbonitrile
Also Known As: 3-Chloro-2,5,6-trifluoro-1,4-benzenedicarbonitrile, C8ClF3N2, 2-chloro-3,5,6-trifluorobenzene-1,4-dicarbonitrile, 3-Chloro-2,5,6-trifluoroterephthalonitrile, 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-
| Molecular Formula | C8ClF3N2 |
|---|---|
| Molecular Weight | 215.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.97021 |
| Heavy Atoms | 14 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 1929-68-6 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)Cl)C#N)F)F |
| InChIKey | FWKGAQNOJROOTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- (CAS 1929-68-6), with molecular formula C8ClF3N2 and molecular weight 215.97 g/mol. IUPAC: 2-chloro-3,5,6-trifluorobenzene-1,4-dicarbonitrile.
Chemical Property Profile of 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-
Property Insights of 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-. With a topological polar surface area (TPSA) of 47.6 Ų, 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- 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 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-?
The CAS number of 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- is 1929-68-6.
What is the molecular formula of 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-?
The molecular formula of 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- is C8ClF3N2.
What is the molecular weight of 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-?
The molecular weight of 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- is 215.97 g/mol.
Where can I buy 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-?
You can request a quote for 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarbonitrile, 3-chloro-2,5,6-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.