![2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile structure](/static/products/122/122165-13-3.png)
2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile
TL;DR: 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile (CAS 122165-13-3) is a chemical compound with molecular formula C12H4F3N3 and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile
Also Known As: 2-[2-(trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile, AS-871/33292025, 1,1,2-tricyano-2-(2-trifluoromethylphenyl)ethylene, 2-[2-(trifluoromethyl)phenyl]-1,1,2-ethylenetricarbonitrile, 2-CYANO-3-(2-TRIFLUOROMETHYL-PHENYL)-BUT-2-ENEDINITRILE
| Molecular Formula | C12H4F3N3 |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.03574 |
| Heavy Atoms | 18 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 122165-13-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=C(C#N)C#N)C#N)C(F)(F)F |
| InChIKey | UKABNLRSZQOYDF-UHFFFAOYSA-N |
Product Overview
2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile (CAS 122165-13-3), with molecular formula C12H4F3N3 and molecular weight 247.04 g/mol. IUPAC: 2-[2-(trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile
Property Insights of 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile. Following Lipinski's Rule of Five, 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile 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 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile?
The CAS number of 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile is 122165-13-3.
What is the molecular formula of 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile?
The molecular formula of 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile is C12H4F3N3.
What is the molecular weight of 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile?
The molecular weight of 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile is 247.04 g/mol.
Where can I buy 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile?
You can request a quote for 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(Trifluoromethyl)phenyl]ethene-1,1,2-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.