TL;DR: 3-(1,1,2,3,3,3-Hexafluoropropoxy)propene (CAS 59158-81-5) is a chemical compound with molecular formula C6H6F6O and molecular weight 208.03229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,2,3,3-hexafluoro-3-prop-2-enoxypropane
Also Known As: Allyl 1,1,2,3,3,3-hexafluoropropyl ether, 2h-hexafluoropropyl allyl ether, (2H-Perfluoropropyl)-2-propenyl ether, Allyl 2H-hexafluoroprop-1-yl ether, PC6210G
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H6F6O |
| Molecular Weight | 208.03229 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.03229 Da |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
| SMILES | C=CCOC(C(C(F)(F)F)F)(F)F |
| InChIKey | ADXLBHULARLUSE-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 3-(1,1,2,3,3,3-Hexafluoropropoxy)propene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-(1,1,2,3,3,3-Hexafluoropropoxy)propene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1,2,3,3,3-Hexafluoropropoxy)propene has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(1,1,2,3,3,3-Hexafluoropropoxy)propene is 59158-81-5.
The molecular formula of 3-(1,1,2,3,3,3-Hexafluoropropoxy)propene is C6H6F6O.
The molecular weight of 3-(1,1,2,3,3,3-Hexafluoropropoxy)propene is 208.03229 g/mol.
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