TL;DR: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctadec-9-ene (CAS 113999-61-4) is a chemical compound with molecular formula C18H19F17 and molecular weight 558.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctadec-9-ene
Also Known As: F8H8E Hydrocarbon, 9-Octadecene,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-, (E)- (9CI), 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-9-octadecene, (9E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctadec-9-ene, (E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-9-octadecene
| Molecular Formula | C18H19F17 |
| Molecular Weight | 558.1215 g/mol |
| XLogP | 10.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 558.1215 Da |
| Heavy Atoms | 35 |
| Complexity | 702.0 |
| SMILES | CCCCCCCCC=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | YDKKPMDGMXMFMV-UHFFFAOYSA-N |
The XLogP value of 10.6 indicates that 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctadec-9-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctadec-9-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctadec-9-ene has 0 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctadec-9-ene is 113999-61-4.
The molecular formula of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctadec-9-ene is C18H19F17.
The molecular weight of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctadec-9-ene is 558.1215 g/mol.
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