TL;DR: Cci-103F (CAS 104290-39-3) is a chemical compound with molecular formula C9H9F6N3O4 and molecular weight 337.0497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(2-nitroimidazol-1-yl)propan-2-ol
Also Known As: Cci-103F, Cci 103F, Hexafluoromisonidazole, 1H-Imidazole-1-ethanol, 2-nitro-alpha-((2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)methyl)-, 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(2-nitroimidazol-1-yl)propan-2-ol
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H9F6N3O4 |
| Molecular Weight | 337.0497 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.0497 Da |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(COC(C(F)(F)F)C(F)(F)F)O |
| InChIKey | RWMNREHJLVXWRN-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cci-103F. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cci-103F. Following Lipinski's Rule of Five, Cci-103F has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cci-103F is 104290-39-3.
The molecular formula of Cci-103F is C9H9F6N3O4.
The molecular weight of Cci-103F is 337.0497 g/mol.
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