TL;DR: 2-Fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide (CAS 1187-66-2) is a chemical compound with molecular formula C4H5Br3FNO2 and molecular weight 354.78543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
Also Known As: Bromal fluoroacetamide, 2-fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide, Acetamide, 2-fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)-, ACETAMIDE,2-FLUORO-(N-(1-HYDROXY-2,2,2-TRIBROMO)ETHYL)-, Fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)ethanimidic acid
| Molecular Formula | C4H5Br3FNO2 |
| Molecular Weight | 354.78543 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.7834 Da |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
| SMILES | C(C(=O)NC(C(Br)(Br)Br)O)F |
| InChIKey | QFWQUVMXKWLKQA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide. With a topological polar surface area (TPSA) of 49.3 Ų, 2-Fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide has 2 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 2-Fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide is 1187-66-2.
The molecular formula of 2-Fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide is C4H5Br3FNO2.
The molecular weight of 2-Fluoro-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide is 354.78543 g/mol.
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