TL;DR: (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-ol (CAS 1135312-07-0) is a chemical compound with molecular formula C8H6F3NO3 and molecular weight 221.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethanol
Also Known As: (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-ol, BAS 00189323, (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethanol, (alphaR)-3-Nitro-alpha-(trifluoromethyl)benzenemethanol, (I+/-R)-3-Nitro-I+/--(trifluoromethyl)benzenemethanol
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.02998 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02998 Da |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])[C@H](C(F)(F)F)O |
| InChIKey | BCYCXBDVLORUCU-SSDOTTSWSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-ol. Following Lipinski's Rule of Five, (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-ol has 1 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 (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-ol is 1135312-07-0.
The molecular formula of (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-ol is C8H6F3NO3.
The molecular weight of (1R)-2,2,2-trifluoro-1-(3-nitrophenyl)ethan-1-ol is 221.02998 g/mol.
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