TL;DR: 2,2,2-trifluoro-N-(2-methoxy-4-nitrophenyl)acetamide (CAS 158977-11-8) 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-(2-methoxy-4-nitrophenyl)acetamide
Also Known As: 2,2,2-trifluoro-N-(2-methoxy-4-nitrophenyl)acetamide, NCI60_004647, N-(2-Methoxy-4-nitrophenyl)trifluoroacetamide, acetamide, 2,2,2-trifluoro-N-(2-methoxy-4-nitrophenyl)-, 2,2,2-trifluoro-N-(2-methoxy-4-nitro-phenyl)acetamide
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H7F3N2O4 |
| Molecular Weight | 264.0358 g/mol |
| XLogP | 2.3 |
| 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=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(F)(F)F |
| InChIKey | LREYANUORWHHDJ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trifluoro-N-(2-methoxy-4-nitrophenyl)acetamide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trifluoro-N-(2-methoxy-4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2,2,2-trifluoro-N-(2-methoxy-4-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-(2-methoxy-4-nitrophenyl)acetamide is 158977-11-8.
The molecular formula of 2,2,2-trifluoro-N-(2-methoxy-4-nitrophenyl)acetamide is C9H7F3N2O4.
The molecular weight of 2,2,2-trifluoro-N-(2-methoxy-4-nitrophenyl)acetamide is 264.0358 g/mol.
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