TL;DR: 2-[(2-Fluorophenoxy)methyl]oxirane (CAS 156788-87-3) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.05865 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-fluorophenoxy)methyl]oxirane
Also Known As: 2-[(2-fluorophenoxy)methyl]oxirane, 2-((2-Fluorophenoxy)methyl)oxirane, 2-(2-fluorophenoxymethyl)oxirane, 3-MERCAPTOHEXYLHEXANOATE, (S)-2-((2-FLUOROPHENOXY)METHYL)OXIRANE
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H9FO2 |
| Molecular Weight | 168.05865 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.05865 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | C1C(O1)COC2=CC=CC=C2F |
| InChIKey | ZGBJAUZQXAADQJ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Fluorophenoxy)methyl]oxirane. With a topological polar surface area (TPSA) of 21.8 Ų, 2-[(2-Fluorophenoxy)methyl]oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Fluorophenoxy)methyl]oxirane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2-Fluorophenoxy)methyl]oxirane is 156788-87-3.
The molecular formula of 2-[(2-Fluorophenoxy)methyl]oxirane is C9H9FO2.
The molecular weight of 2-[(2-Fluorophenoxy)methyl]oxirane is 168.05865 g/mol.
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