TL;DR: 2-Fluoro-3-oxo-3-phenylmethoxypropanoic acid (CAS 137186-60-8) is a chemical compound with molecular formula C10H9FO4 and molecular weight 212.0485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-3-oxo-3-phenylmethoxypropanoic acid
Also Known As: 2-fluoro-3-oxo-3-phenylmethoxypropanoate, 3-(benzyloxy)-2-fluoro-3-oxopropanoic acid, 2-fluoro-3-oxo-3-phenylmethoxypropanoic acid, 2-fluoro-3-oxo-3-phenylmethoxy-propanoic Acid
| Molecular Formula | C10H9FO4 |
| Molecular Weight | 212.0485 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.0485 Da |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C(=O)O)F |
| InChIKey | PVAZVBVIWJGNJA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-3-oxo-3-phenylmethoxypropanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-3-oxo-3-phenylmethoxypropanoic acid. Following Lipinski's Rule of Five, 2-Fluoro-3-oxo-3-phenylmethoxypropanoic acid 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 2-Fluoro-3-oxo-3-phenylmethoxypropanoic acid is 137186-60-8.
The molecular formula of 2-Fluoro-3-oxo-3-phenylmethoxypropanoic acid is C10H9FO4.
The molecular weight of 2-Fluoro-3-oxo-3-phenylmethoxypropanoic acid is 212.0485 g/mol.
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