TL;DR: (1S)-2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol (CAS 1568194-60-4) is a chemical compound with molecular formula C6H7F3N2O and molecular weight 180.05104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol
Also Known As: (1S)-2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
| Molecular Formula | C6H7F3N2O |
| Molecular Weight | 180.05104 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.05104 Da |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
| SMILES | CN1C=CN=C1[C@@H](C(F)(F)F)O |
| InChIKey | VCWWANSAFLSDNW-BYPYZUCNSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol. With a topological polar surface area (TPSA) of 38.1 Ų, (1S)-2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1S)-2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol is 1568194-60-4.
The molecular formula of (1S)-2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol is C6H7F3N2O.
The molecular weight of (1S)-2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol is 180.05104 g/mol.
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