TL;DR: Allyl heptafluoroisopropyl ether (CAS 150771-44-1) is a chemical compound with molecular formula C6H5F7O and molecular weight 226.02286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,2,3,3,3-heptafluoro-2-prop-2-enoxypropane
Also Known As: Allyl heptafluoroisopropyl ether, Allyl perfluoroisopropyl ether, allylheptafluoroisopropylether, perfluoroisopropyl allyl ether, Allylheptafluoroisopropyl ether
| Molecular Formula | C6H5F7O |
| Molecular Weight | 226.02286 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.02286 Da |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
| SMILES | C=CCOC(C(F)(F)F)(C(F)(F)F)F |
| InChIKey | FXUHCQHWDACOKK-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Allyl heptafluoroisopropyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Allyl heptafluoroisopropyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl heptafluoroisopropyl ether has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Allyl heptafluoroisopropyl ether is 150771-44-1.
The molecular formula of Allyl heptafluoroisopropyl ether is C6H5F7O.
The molecular weight of Allyl heptafluoroisopropyl ether is 226.02286 g/mol.
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