TL;DR: 2,2-Dimethyl-7-(5-(trifluoromethyl)(2-pyridyloxy))oxaindane (CAS 1024450-09-6) is a chemical compound with molecular formula C16H14F3NO2 and molecular weight 309.09766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-(trifluoromethyl)pyridine
Also Known As: 2,2-DIMETHYL-7-(5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))OXAINDANE, 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-5-(trifluoromethyl)pyridine, 2-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-5-(trifluoromethyl)pyridine, 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-5-(trifluoromethyl)pyridine
| Molecular Formula | C16H14F3NO2 |
| Molecular Weight | 309.09766 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.09766 Da |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C |
| InChIKey | OYFAQWJTSYQJEB-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2,2-Dimethyl-7-(5-(trifluoromethyl)(2-pyridyloxy))oxaindane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, 2,2-Dimethyl-7-(5-(trifluoromethyl)(2-pyridyloxy))oxaindane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-7-(5-(trifluoromethyl)(2-pyridyloxy))oxaindane 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-Dimethyl-7-(5-(trifluoromethyl)(2-pyridyloxy))oxaindane is 1024450-09-6.
The molecular formula of 2,2-Dimethyl-7-(5-(trifluoromethyl)(2-pyridyloxy))oxaindane is C16H14F3NO2.
The molecular weight of 2,2-Dimethyl-7-(5-(trifluoromethyl)(2-pyridyloxy))oxaindane is 309.09766 g/mol.
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