![2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile structure](/static/products/1137/113710-36-4.webp)
2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
TL;DR: 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile (CAS 113710-36-4) is a chemical compound with molecular formula C13H4F6N4 and molecular weight 330.03403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3,5-bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
Also Known As: 1-{[3,5-bis(trifluoromethyl)phenyl]amino}eth-1-ene-1,2,2-tricarbonitrile, 2-[3,5-bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile, 2-[3,5-bis(trifluoromethyl)anilino]-1,1,2-ethylenetricarbonitrile, 2-3,5-Bis(trifluoromethyl)anilino-1,1,2-ethylenetricarbonitrile, 2-[[3,5-bis(trifluoromethyl)phenyl]amino]ethene-1,1,2-tricarbonitrile
Technical Specifications
| Molecular Formula | C13H4F6N4 |
| Molecular Weight | 330.03403 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.03403 Da |
| Heavy Atoms | 23 |
| Complexity | 592.0 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC(=C(C#N)C#N)C#N)C(F)(F)F |
| InChIKey | WLQAQCJYSLYFFX-UHFFFAOYSA-N |
Chemical Property Profile of 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
Property Insights of 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
The XLogP value of 3.9 indicates that 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile. Following Lipinski's Rule of Five, 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile?
The CAS number of 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile is 113710-36-4.
What is the molecular formula of 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile?
The molecular formula of 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile is C13H4F6N4.
What is the molecular weight of 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile?
The molecular weight of 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile is 330.03403 g/mol.
Where can I buy 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile?
You can request a quote for 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[3,5-Bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.