TL;DR: 2-(2,3,4,5,6-Pentafluorophenyl)oxirane (CAS 121680-77-1) is a chemical compound with molecular formula C8H3F5O and molecular weight 210.0104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3,4,5,6-pentafluorophenyl)oxirane
Also Known As: 2-(pentafluorophenyl)oxirane, 2-(Perfluorophenyl)oxirane, (Pentafluorophenyl)ethylene oxide, 2-(2,3,4,5,6-pentafluorophenyl)oxirane, PENTAFLUOROPHENYLOXIRANE
| Molecular Formula | C8H3F5O |
| Molecular Weight | 210.0104 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.0104 Da |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
| SMILES | C1C(O1)C2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | ZUZPTXICNGFRDG-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3,4,5,6-Pentafluorophenyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(2,3,4,5,6-Pentafluorophenyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3,4,5,6-Pentafluorophenyl)oxirane has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2,3,4,5,6-Pentafluorophenyl)oxirane is 121680-77-1.
The molecular formula of 2-(2,3,4,5,6-Pentafluorophenyl)oxirane is C8H3F5O.
The molecular weight of 2-(2,3,4,5,6-Pentafluorophenyl)oxirane is 210.0104 g/mol.
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