![4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile structure](/static/products/1025/1025230-57-2.webp)
4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile
TL;DR: 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile (CAS 1025230-57-2) is a chemical compound with molecular formula C15H15F3N2O and molecular weight 296.11365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylidene]pentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((2-(TRIFLUOROMETHYL)PHENYL)AMINO)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile, (2Z)-4,4-dimethyl-3-oxo-2-({[2-(trifluoromethyl)phenyl]amino}methylidene)pentanenitrile, (Z)-2-(2,2-dimethylpropanoyl)-3-[2-(trifluoromethyl)anilino]-2-propenenitrile, 4,4-dimethyl-3-oxo-2-[[[2-(trifluoromethyl)phenyl]amino]methylidene]pentanenitrile
Technical Specifications
| Molecular Formula | C15H15F3N2O |
| Molecular Weight | 296.11365 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.11365 Da |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=CC=C1C(F)(F)F)C#N |
| InChIKey | YUJHFLLHSWHCCT-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile
Property Insights of 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile
The XLogP value of 4.5 indicates that 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile?
The CAS number of 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile is 1025230-57-2.
What is the molecular formula of 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile?
The molecular formula of 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile is C15H15F3N2O.
What is the molecular weight of 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile?
The molecular weight of 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile is 296.11365 g/mol.
Where can I buy 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile?
You can request a quote for 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile?
Yes, CoreyChem provides custom synthesis services for 4,4-Dimethyl-3-oxo-2-[[2-(trifluoromethyl)anilino]methylene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.