TL;DR: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicosane (CAS 154628-00-9) is a chemical compound with molecular formula C20H29F13 and molecular weight 516.2062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroicosane
Also Known As: 1-(Perfluoro-n-hexyl)tetradecane, 1-(Perfluorohexyl)tetradecane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroicosane, 1,1,1,2,2,2,3,3,4,4,5,5,6,6-Tridecafluoroeicosane, 1-(Perfluorohexyl)tetradecane 250g
| Molecular Formula | C20H29F13 |
| Molecular Weight | 516.2062 g/mol |
| XLogP | 11.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 516.2062 Da |
| Heavy Atoms | 33 |
| Complexity | 553.0 |
| SMILES | CCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | BREOHRVZEZMFOB-UHFFFAOYSA-N |
The XLogP value of 11.9 indicates that 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicosane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicosane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicosane has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicosane is 154628-00-9.
The molecular formula of 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicosane is C20H29F13.
The molecular weight of 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicosane is 516.2062 g/mol.
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