TL;DR: Benzene, 1-(3-(4-(2-ethylbutyl)phenoxy)propoxy)-2,3,4,5,6-pentafluoro- (CAS 125796-98-7) is a chemical compound with molecular formula C21H23F5O2 and molecular weight 402.16183 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[4-(2-ethylbutyl)phenoxy]propoxy]-2,3,4,5,6-pentafluorobenzene
Also Known As: Benzene, 1-(3-(4-(2-ethylbutyl)phenoxy)propoxy)-2,3,4,5,6-pentafluoro-, 1-[3-[4-(2-ethylbutyl)phenoxy]propoxy]-2,3,4,5,6-pentafluoro-benzene, 1-[3-[4-(2-ethylbutyl)phenoxy]propoxy]-2,3,4,5,6-pentafluorobenzene, 1-{3-[4-(2-Ethylbutyl)phenoxy]propoxy}-2,3,4,5,6-pentafluorobenzene
| Molecular Formula | C21H23F5O2 |
| Molecular Weight | 402.16183 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 402.16183 Da |
| Heavy Atoms | 28 |
| Complexity | 413.0 |
| SMILES | CCC(CC)CC1=CC=C(C=C1)OCCCOC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | SSEWEQZKAHIHNI-UHFFFAOYSA-N |
The XLogP value of 7.1 indicates that Benzene, 1-(3-(4-(2-ethylbutyl)phenoxy)propoxy)-2,3,4,5,6-pentafluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzene, 1-(3-(4-(2-ethylbutyl)phenoxy)propoxy)-2,3,4,5,6-pentafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(3-(4-(2-ethylbutyl)phenoxy)propoxy)-2,3,4,5,6-pentafluoro- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzene, 1-(3-(4-(2-ethylbutyl)phenoxy)propoxy)-2,3,4,5,6-pentafluoro- is 125796-98-7.
The molecular formula of Benzene, 1-(3-(4-(2-ethylbutyl)phenoxy)propoxy)-2,3,4,5,6-pentafluoro- is C21H23F5O2.
The molecular weight of Benzene, 1-(3-(4-(2-ethylbutyl)phenoxy)propoxy)-2,3,4,5,6-pentafluoro- is 402.16183 g/mol.
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