TL;DR: 1-(4-Fluorobenzoyl)aziridine (CAS 15257-81-5) is a chemical compound with molecular formula C9H8FNO and molecular weight 165.05899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
aziridin-1-yl-(4-fluorophenyl)methanone
Also Known As: 1-(4-Fluorobenzoyl)aziridine, 4-Fluorbensoylaziridine, aziridin-1-yl(4-fluorophenyl)methanone, aziridin-1-yl-(4-fluorophenyl)methanone, Methanone,1-aziridinyl(4-fluorophenyl)-
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H8FNO |
| Molecular Weight | 165.05899 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 20.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.05899 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | C1CN1C(=O)C2=CC=C(C=C2)F |
| InChIKey | WJMOWGFGRONZPA-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorobenzoyl)aziridine. With a topological polar surface area (TPSA) of 20.1 Ų, 1-(4-Fluorobenzoyl)aziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorobenzoyl)aziridine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Fluorobenzoyl)aziridine is 15257-81-5.
The molecular formula of 1-(4-Fluorobenzoyl)aziridine is C9H8FNO.
The molecular weight of 1-(4-Fluorobenzoyl)aziridine is 165.05899 g/mol.
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