TL;DR: Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]- (CAS 156592-06-2) is a chemical compound with molecular formula C18H8F8N2O2 and molecular weight 436.0458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine
Also Known As: Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]-, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine
| Molecular Formula | C18H8F8N2O2 |
| Molecular Weight | 436.0458 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 44.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.0458 Da |
| Heavy Atoms | 30 |
| Complexity | 515.0 |
| SMILES | C1=CC(=C(C=C1OC2=CC(=NC=N2)OC3=CC(=C(C=C3)F)C(F)(F)F)C(F)(F)F)F |
| InChIKey | CJUQHRGCSKPBDZ-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.2 Ų, Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]- has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]- is 156592-06-2.
The molecular formula of Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]- is C18H8F8N2O2.
The molecular weight of Pyrimidine, 4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]- is 436.0458 g/mol.
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