TL;DR: 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide (CAS 128691-93-0) is a chemical compound with molecular formula C9H7F3N2O4 and molecular weight 264.0358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide
Also Known As: 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide, 2-Nitro-4-methoxytrifluoroacetanilide, BAS 00606358, 2,2,2-Trifluoro-N-(4-methoxy-2-nitro-phenyl)-acetamide, 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide #
| Molecular Formula | C9H7F3N2O4 |
| Molecular Weight | 264.0358 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.0358 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | COC1=CC(=C(C=C1)NC(=O)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | IPUBAUKHSFRTAT-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide is 128691-93-0.
The molecular formula of 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide is C9H7F3N2O4.
The molecular weight of 2,2,2-Trifluoro-N-(4-methoxy-2-nitrophenyl)acetamide is 264.0358 g/mol.
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