![2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile structure](/static/products/1020/1020252-59-8.webp)
2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile
TL;DR: 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile (CAS 1020252-59-8) is a chemical compound with molecular formula C12H7F4N3O and molecular weight 285.05252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methylidene]propanedinitrile
Also Known As: 2-({[3-(1,1,2,2-tetrafluoroethoxy)phenyl]amino}methylidene)propanedinitrile, 2-{[3-(1,1,2,2-tetrafluoroethoxy)anilino]methylene}malononitrile, 2-[[3-(1,1,2,2-tetrafluoroethoxy)anilino]methylidene]propanedinitrile, (((3-(1,1,2,2-TETRAFLUOROETHOXY)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-{3-(1,1,2,2-Tetrafluoroethoxy)anilinomethylene}malononitrile
Technical Specifications
| Molecular Formula | C12H7F4N3O |
| Molecular Weight | 285.05252 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.05252 Da |
| Heavy Atoms | 20 |
| Complexity | 442.0 |
| SMILES | C1=CC(=CC(=C1)OC(C(F)F)(F)F)NC=C(C#N)C#N |
| InChIKey | HCJDXBNBZUOAMC-UHFFFAOYSA-N |
Chemical Property Profile of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile
Property Insights of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile
The XLogP value of 3.8 indicates that 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile. Following Lipinski's Rule of Five, 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile has 1 hydrogen bond donor(s) and 8 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-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile?
The CAS number of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile is 1020252-59-8.
What is the molecular formula of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile?
The molecular formula of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile is C12H7F4N3O.
What is the molecular weight of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile?
The molecular weight of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile is 285.05252 g/mol.
Where can I buy 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile?
You can request a quote for 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-{[3-(1,1,2,2-Tetrafluoroethoxy)anilino]methylene}malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.