TL;DR: 2,4-Dichloro-5-(difluoromethoxy)aniline (CAS 122855-06-5) is a chemical compound with molecular formula C7H5Cl2F2NO and molecular weight 226.97162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-5-(difluoromethoxy)aniline
Also Known As: 2,4-dichloro-5-(difluoromethoxy)aniline, Aniline, 2,4-dichloro-5-(difluoromethoxy)-, Benzenamine,2,4-dichloro-5-(difluoromethoxy)-, 2,4-Dichloro-5-(difluoromethoxy)benzenamine, Benzenamine,2,4-dichloro-5-(difluoromethoxy)
| Molecular Formula | C7H5Cl2F2NO |
| Molecular Weight | 226.97162 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.97162 Da |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
| SMILES | C1=C(C(=CC(=C1OC(F)F)Cl)Cl)N |
| InChIKey | YIYYNNXWENNWHM-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2,4-Dichloro-5-(difluoromethoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 2,4-Dichloro-5-(difluoromethoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-5-(difluoromethoxy)aniline 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 2,4-Dichloro-5-(difluoromethoxy)aniline is 122855-06-5.
The molecular formula of 2,4-Dichloro-5-(difluoromethoxy)aniline is C7H5Cl2F2NO.
The molecular weight of 2,4-Dichloro-5-(difluoromethoxy)aniline is 226.97162 g/mol.
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