TL;DR: Octyl [2-(trifluoromethyl)phenyl] ether (CAS 155056-55-6) is a chemical compound with molecular formula C15H21F3O and molecular weight 274.15445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-octoxy-2-(trifluoromethyl)benzene
Also Known As: Octyl [2-(trifluoromethyl)phenyl] ether, starbld0006925, 1-octoxy-2-(trifluoromethyl)benzene, 2-(Octyloxy)benzotrifluoride, 1-(OCTYLOXY)-2-(TRIFLUOROMETHYL)BENZENE
| Molecular Formula | C15H21F3O |
| Molecular Weight | 274.15445 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 274.15445 Da |
| Heavy Atoms | 19 |
| Complexity | 228.0 |
| SMILES | CCCCCCCCOC1=CC=CC=C1C(F)(F)F |
| InChIKey | KERRBVYEVFOYRC-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that Octyl [2-(trifluoromethyl)phenyl] ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Octyl [2-(trifluoromethyl)phenyl] ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl [2-(trifluoromethyl)phenyl] ether has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Octyl [2-(trifluoromethyl)phenyl] ether is 155056-55-6.
The molecular formula of Octyl [2-(trifluoromethyl)phenyl] ether is C15H21F3O.
The molecular weight of Octyl [2-(trifluoromethyl)phenyl] ether is 274.15445 g/mol.
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