TL;DR: 1-(Trifluoromethoxy)-4-[4-(trifluoromethoxy)benzyl]benzene (CAS 101855-89-4) is a chemical compound with molecular formula C15H10F6O2 and molecular weight 336.0585 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzene
Also Known As: 1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)benzyl]benzene, Bis[4-(trifluoromethoxy)phenyl]methane, J3.546.890K, 1,1'-Methylenebis[4-(trifluoromethoxy)benzene], 1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzene
| Molecular Formula | C15H10F6O2 |
| Molecular Weight | 336.0585 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.0585 Da |
| Heavy Atoms | 23 |
| Complexity | 318.0 |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)OC(F)(F)F)OC(F)(F)F |
| InChIKey | JAVPIXBBOHUETK-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 1-(Trifluoromethoxy)-4-[4-(trifluoromethoxy)benzyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(Trifluoromethoxy)-4-[4-(trifluoromethoxy)benzyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trifluoromethoxy)-4-[4-(trifluoromethoxy)benzyl]benzene has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(Trifluoromethoxy)-4-[4-(trifluoromethoxy)benzyl]benzene is 101855-89-4.
The molecular formula of 1-(Trifluoromethoxy)-4-[4-(trifluoromethoxy)benzyl]benzene is C15H10F6O2.
The molecular weight of 1-(Trifluoromethoxy)-4-[4-(trifluoromethoxy)benzyl]benzene is 336.0585 g/mol.
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