TL;DR: 1,4-Bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine (CAS 137918-81-1) is a chemical compound with molecular formula C18H14F6N4O4 and molecular weight 464.09192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Also Known As: Maybridge1_006503, 1,4-bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine, BAS 00805326, 1,4-di[2-nitro-4-(trifluoromethyl)phenyl]piperazine, 1,4-bis(2-nitro-4-(trifluoromethyl)phenyl)piperazine
| Molecular Formula | C18H14F6N4O4 |
| Molecular Weight | 464.09192 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.09192 Da |
| Heavy Atoms | 32 |
| Complexity | 629.0 |
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | FAYNHZQWDXUAFW-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 1,4-Bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine. Following Lipinski's Rule of Five, 1,4-Bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine is 137918-81-1.
The molecular formula of 1,4-Bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine is C18H14F6N4O4.
The molecular weight of 1,4-Bis[2-nitro-4-(trifluoromethyl)phenyl]piperazine is 464.09192 g/mol.
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