TL;DR: RefChem:869606 (CAS 112820-37-8) is a chemical compound with molecular formula C9F18O3 and molecular weight 497.956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Perfluoro(2-[(1-propoxypropan-2-yl)oxy]propanoyl) fluoride
2,3,3,3-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-2-yl]oxypropanoyl fluoride
Also Known As: J1.558.310J, Perfluoro(2-[(1-propoxypropan-2-yl)oxy]propanoyl) fluoride, Propanoyl fluoride, 2-(1-(difluoro(heptafluoropropoxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoro-, Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,2,2-trifluoro-2-(heptafluoropropoxy)-1-(trifluoromethyl)ethoxy)-, Propanoyl fluoride, 2-(1-(difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoro-
| Molecular Formula | C9F18O3 |
| Molecular Weight | 497.956 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.956 Da |
| Heavy Atoms | 30 |
| Complexity | 645.0 |
| SMILES | C(=O)(C(C(F)(F)F)(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)F)F |
| InChIKey | ZFUIXYCDZABZDB-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that RefChem:869606 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, RefChem:869606 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:869606 has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:869606 is 112820-37-8.
The molecular formula of RefChem:869606 is C9F18O3.
The molecular weight of RefChem:869606 is 497.956 g/mol.
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