![Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- structure](/static/products/1137/113710-34-2.webp)
Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-
TL;DR: Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- (CAS 113710-34-2) is a chemical compound with molecular formula C12H5F3N4 and molecular weight 262.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
Also Known As: Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-, 2-[3-(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile, 2-((3-(Trifluoromethyl)phenyl)amino)ethene-1,1,2-tricarbonitrile, 1-{[3-(trifluoromethyl)phenyl]amino}eth-1-ene-1,2,2-tricarbonitrile, 2-[3-(trifluoromethyl)anilino]-1,1,2-ethylenetricarbonitrile
Technical Specifications
| Molecular Formula | C12H5F3N4 |
| Molecular Weight | 262.04663 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.04663 Da |
| Heavy Atoms | 19 |
| Complexity | 501.0 |
| SMILES | C1=CC(=CC(=C1)NC(=C(C#N)C#N)C#N)C(F)(F)F |
| InChIKey | NHPLAKMRDIMLGZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-
Property Insights of Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-
The XLogP value of 3.1 indicates that Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- 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 Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-. Following Lipinski's Rule of Five, Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-?
The CAS number of Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- is 113710-34-2.
What is the molecular formula of Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-?
The molecular formula of Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- is C12H5F3N4.
What is the molecular weight of Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-?
The molecular weight of Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- is 262.04663 g/mol.
Where can I buy Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-?
You can request a quote for Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]-?
Yes, CoreyChem provides custom synthesis services for Ethenetricarbonitrile, [[3-(trifluoromethyl)phenyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.