TL;DR: 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide (CAS 338424-38-7) is a chemical compound with molecular formula C11H10F3NO2 and molecular weight 245.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-[3-(trifluoromethyl)phenyl]oxirane-2-carboxamide
Also Known As: 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide, 2-methyl-N-[3-(trifluoromethyl)phenyl]oxirane-2-carboxamide, 4J-554S, methyltrifluoromethylphenyloxiranecarboxamide, 2-Methyl-N-[3-(trifluoromethyl)phenyl]-2-oxirane carboxamide
| Molecular Formula | C11H10F3NO2 |
| Molecular Weight | 245.06636 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.06636 Da |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
| SMILES | CC1(CO1)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | KBAIZDIRTZZBAQ-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide. With a topological polar surface area (TPSA) of 41.6 Ų, 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide has 1 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-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide is 338424-38-7.
The molecular formula of 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide is C11H10F3NO2.
The molecular weight of 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-oxiranecarboxamide is 245.06636 g/mol.
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