TL;DR: 4-(1,1-Difluoroethyl)pyridine (CAS 114490-29-8) 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.
4-(1,1-difluoroethyl)pyridine
Also Known As: 4-(1,1-difluoroethyl)pyridine, Pyridine, 4-(1,1-difluoroethyl)- (9CI), 2,2-Difluoro-2-(4-pyridyl)ethane, pyridine, 4-(1,1-difluoroethyl)-, pyridine,4-(1,1-difluoroethyl)
| 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 | 108.0 |
| SMILES | CC(C1=CC=NC=C1)(F)F |
| InChIKey | IEUYVLHLIXKLHF-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-Difluoroethyl)pyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 4-(1,1-Difluoroethyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(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 4-(1,1-Difluoroethyl)pyridine is 114490-29-8.
The molecular formula of 4-(1,1-Difluoroethyl)pyridine is C7H7F2N.
The molecular weight of 4-(1,1-Difluoroethyl)pyridine is 143.05466 g/mol.
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