TL;DR: Benzenamine, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)- (CAS 84542-20-1) is a chemical compound with molecular formula C14H8F5N3O4 and molecular weight 377.0435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Also Known As: N-(2,4-Difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline, Benzenamine, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)-, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)benzenamine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H8F5N3O4 |
| Molecular Weight | 377.0435 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.0435 Da |
| Heavy Atoms | 26 |
| Complexity | 538.0 |
| SMILES | CN(C1=C(C=C(C=C1)F)F)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F |
| InChIKey | BGEWCEXJSPCYTQ-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Benzenamine, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzenamine, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenamine, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)- is 84542-20-1.
The molecular formula of Benzenamine, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)- is C14H8F5N3O4.
The molecular weight of Benzenamine, N-(2,4-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)- is 377.0435 g/mol.
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