TL;DR: Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride (CAS 16090-14-5) is a chemical compound with molecular formula C7F14O4S and molecular weight 445.92938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride
Also Known As: Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride, Manool, C7F14O4S, FS 141, KST-1B9277
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7F14O4S |
| Molecular Weight | 445.92938 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.92938 Da |
| Heavy Atoms | 26 |
| Complexity | 656.0 |
| SMILES | C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)(F)F)F |
| InChIKey | KTCQQCLZUOZFEI-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride. Following Lipinski's Rule of Five, Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride is 16090-14-5.
The molecular formula of Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride is C7F14O4S.
The molecular weight of Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride is 445.92938 g/mol.
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