![(E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile structure](/static/products/1025/1025659-82-8.webp)
(E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile
TL;DR: (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile (CAS 1025659-82-8) is a chemical compound with molecular formula C15H14F4N2O and molecular weight 314.10422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-fluoro-2-(trifluoromethyl)anilino]methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile, 2-[[4-fluoro-2-(trifluoromethyl)anilino]methylidene]-4,4-dimethyl-3-oxopentanenitrile, (2E)-2-({[4-fluoro-2-(trifluoromethyl)phenyl]amino}methylidene)-4,4-dimethyl-3-oxopentanenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-((4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)AMINO)PROP-2-ENENITRILE, 2-[[[4-fluoro-2-(trifluoromethyl)phenyl]amino]methylidene]-4,4-dimethyl-3-oxo-pentanenitrile
Technical Specifications
| Molecular Formula | C15H14F4N2O |
| Molecular Weight | 314.10422 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.10422 Da |
| Heavy Atoms | 22 |
| Complexity | 496.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC1=C(C=C(C=C1)F)C(F)(F)F)C#N |
| InChIKey | NKENTVXXQAWQEV-UHFFFAOYSA-N |
Chemical Property Profile of (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile
Property Insights of (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile
The XLogP value of 4.6 indicates that (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile 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 (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile?
The CAS number of (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile is 1025659-82-8.
What is the molecular formula of (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile?
The molecular formula of (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile is C15H14F4N2O.
What is the molecular weight of (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile?
The molecular weight of (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile is 314.10422 g/mol.
Where can I buy (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile?
You can request a quote for (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile?
Yes, CoreyChem provides custom synthesis services for (E)-2-(2,2-dimethylpropanoyl)-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.