TL;DR: 2-(2-fluoro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione (CAS 166658-69-1) is a chemical compound with molecular formula C14H7FN2O4 and molecular weight 286.03897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-fluoro-5-nitrophenyl)isoindole-1,3-dione
Also Known As: 2-(2-Fluoro-5-nitrophenyl)isoindoline-1,3-dione, 2-(2-fluoro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione, fluoronitrophenylisoindoledione, 2-(2-fluoro-5-nitrophenyl)isoindole-1,3-dione, AB00083358-01
| Molecular Formula | C14H7FN2O4 |
| Molecular Weight | 286.03897 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.03897 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])F |
| InChIKey | ZFKGQGVYTBHFNT-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-fluoro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-fluoro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-fluoro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-fluoro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione is 166658-69-1.
The molecular formula of 2-(2-fluoro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione is C14H7FN2O4.
The molecular weight of 2-(2-fluoro-5-nitrophenyl)-1H-isoindole-1,3(2H)-dione is 286.03897 g/mol.
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