TL;DR: 3-(1,1-Difluoroethyl)pyridine (CAS 114468-03-0) is a chemical compound with molecular formula C7H7F2N and molecular weight 143.05466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,1-difluoroethyl)pyridine
Also Known As: 3-(1,1-difluoroethyl)pyridine, 3-(1,1-Difluoro-ethyl)-pyridine, Pyridine,3-(1,1-difluoroethyl)-(9CI), pyridine, 3-(1,1-difluoroethyl)-, 2,2-Difluoro-2-(3-pyridyl)ethane
| Molecular Formula | C7H7F2N |
| Molecular Weight | 143.05466 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.05466 Da |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| SMILES | CC(C1=CN=CC=C1)(F)F |
| InChIKey | WFCYXXQJORJHPH-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-Difluoroethyl)pyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 3-(1,1-Difluoroethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1-Difluoroethyl)pyridine 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 3-(1,1-Difluoroethyl)pyridine is 114468-03-0.
The molecular formula of 3-(1,1-Difluoroethyl)pyridine is C7H7F2N.
The molecular weight of 3-(1,1-Difluoroethyl)pyridine is 143.05466 g/mol.
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