TL;DR: Acetamide, N-(2-bromoallyl)-2,2,2-trifluoro- (CAS 102585-35-3) is a chemical compound with molecular formula C5H5BrF3NO and molecular weight 230.95065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bromoprop-2-enyl)-2,2,2-trifluoroacetamide
Also Known As: N-(2-Bromoallyl)trifluoroacetamide, ACETAMIDE, N-(2-BROMOALLYL)-2,2,2-TRIFLUORO-, N-(2-bromoprop-2-enyl)-2,2,2-trifluoroacetamide, N-(2-Bromoallyl)-2,2,2-trifluoroacetamide, Acetamide,N-(2-bromo-2-propen-1-yl)-2,2,2-trifluoro-
| Molecular Formula | C5H5BrF3NO |
| Molecular Weight | 230.95065 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.95065 Da |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
| SMILES | C=C(CNC(=O)C(F)(F)F)Br |
| InChIKey | YDIHAWZEBRMEBT-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-(2-bromoallyl)-2,2,2-trifluoro-. With a topological polar surface area (TPSA) of 29.1 Ų, Acetamide, N-(2-bromoallyl)-2,2,2-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamide, N-(2-bromoallyl)-2,2,2-trifluoro- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetamide, N-(2-bromoallyl)-2,2,2-trifluoro- is 102585-35-3.
The molecular formula of Acetamide, N-(2-bromoallyl)-2,2,2-trifluoro- is C5H5BrF3NO.
The molecular weight of Acetamide, N-(2-bromoallyl)-2,2,2-trifluoro- is 230.95065 g/mol.
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