TL;DR: 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic Acid (CAS 127842-69-7) is a chemical compound with molecular formula C10H11F2NO3 and molecular weight 231.0707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-3-[2-(difluoromethoxy)phenyl]propanoic acid
Also Known As: 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic Acid, Ethyl 3-chloro-4-methylcarbanilate, Ethanone,1-[2-(difluoromethoxy)phenyl], 3-AMINO-3-(2-DIFLUOROMETHOXYPHENYL)-PROPIONIC ACID, Benzenepropanoic acid, b-amino-2-(difluoromethoxy)-
| Molecular Formula | C10H11F2NO3 |
| Molecular Weight | 231.0707 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.0707 Da |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
| SMILES | C1=CC=C(C(=C1)C(CC(=O)O)N)OC(F)F |
| InChIKey | MJAMQUZSDYHIAK-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic Acid. Following Lipinski's Rule of Five, 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic Acid has 2 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 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic Acid is 127842-69-7.
The molecular formula of 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic Acid is C10H11F2NO3.
The molecular weight of 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic Acid is 231.0707 g/mol.
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