![2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile structure](/static/products/1025/1025230-61-8.webp)
2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile
TL;DR: 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile (CAS 1025230-61-8) is a chemical compound with molecular formula C14H15FN2O and molecular weight 246.11684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-fluoroanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((2-FLUOROPHENYL)AMINO)PROP-2-ENENITRILE, 2-[(2-fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(2-fluoroanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile, 2-[[(2-fluorophenyl)amino]methylidene]-4,4-dimethyl-3-oxo-pentanenitrile
Technical Specifications
| Molecular Formula | C14H15FN2O |
| Molecular Weight | 246.11684 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.11684 Da |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=CC=C1F)C#N |
| InChIKey | SDXXACLBZHOMRE-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile
Property Insights of 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile
The XLogP value of 3.7 indicates that 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-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, 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile has 1 hydrogen bond donor(s) and 4 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-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
The CAS number of 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is 1025230-61-8.
What is the molecular formula of 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
The molecular formula of 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is C14H15FN2O.
What is the molecular weight of 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
The molecular weight of 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile is 246.11684 g/mol.
Where can I buy 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
You can request a quote for 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Fluoroanilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.