TL;DR: 2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]carbamoyl}cyclopropane-1-carboxylic acid (CAS 1024151-58-3) is a chemical compound with molecular formula C13H11F4NO4 and molecular weight 321.0624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
Also Known As: 2-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl}cyclopropane-1-carboxylic acid, 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic Acid, 2-{[3-(1,1,2,2-tetrafluoroethoxy)anilino]carbonyl}cyclopropanecarboxylic acid, 2-(N-(3-(1,1,2,2-TETRAFLUOROETHOXY)PHENYL)CARBAMOYL)CYCLOPROPANECARBOXYLIC ACID, 2-{3-(1,1,2,2-Tetrafluoroethoxy)anilinocarbonyl}cyclopropanecarboxylic acid
| Molecular Formula | C13H11F4NO4 |
| Molecular Weight | 321.0624 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.0624 Da |
| Heavy Atoms | 22 |
| Complexity | 446.0 |
| SMILES | C1C(C1C(=O)O)C(=O)NC2=CC(=CC=C2)OC(C(F)F)(F)F |
| InChIKey | FEWTZJMQDFMOPU-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]carbamoyl}cyclopropane-1-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]carbamoyl}cyclopropane-1-carboxylic acid. Following Lipinski's Rule of Five, 2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]carbamoyl}cyclopropane-1-carboxylic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]carbamoyl}cyclopropane-1-carboxylic acid is 1024151-58-3.
The molecular formula of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]carbamoyl}cyclopropane-1-carboxylic acid is C13H11F4NO4.
The molecular weight of 2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]carbamoyl}cyclopropane-1-carboxylic acid is 321.0624 g/mol.
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