TL;DR: 9-Iodoperfluoro(2-methyl-3-oxanonane) (CAS 25080-18-6) is a chemical compound with molecular formula C9F19IO and molecular weight 611.8691 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-iodohexane
Also Known As: 1-Iodoperfluoro(6-isopropoxyhexane), 9-Iodoperfluoro(2-methyl-3-oxanonane), 1-IODO-6-(HEPTAFLUOROISOPROPOXY)PERFLUOROHEXANE, Dodecylfluoro-1-iodo-6-(tetrafluoro-1-(trifluoromethyl)ethoxy)hexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-iodohexane
| Molecular Formula | C9F19IO |
| Molecular Weight | 611.8691 g/mol |
| XLogP | 7.5 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 7 |
| Exact Mass | 611.8691 Da |
| Heavy Atoms | 30 |
| Complexity | 615.0 |
| SMILES | C(C(F)(F)F)(C(F)(F)F)(OC(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)F |
| InChIKey | LFJNSTDXWXWXRL-UHFFFAOYSA-N |
The XLogP value of 7.5 indicates that 9-Iodoperfluoro(2-methyl-3-oxanonane) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 9-Iodoperfluoro(2-methyl-3-oxanonane) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Iodoperfluoro(2-methyl-3-oxanonane) has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9-Iodoperfluoro(2-methyl-3-oxanonane) is 25080-18-6.
The molecular formula of 9-Iodoperfluoro(2-methyl-3-oxanonane) is C9F19IO.
The molecular weight of 9-Iodoperfluoro(2-methyl-3-oxanonane) is 611.8691 g/mol.
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