TL;DR: Di(Pentafluorophenyl) (ethy1enedioxy)diacetate (CAS 139360-39-7) is a chemical compound with molecular formula C18H8F10O6 and molecular weight 510.0161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,4,5,6-pentafluorophenyl) 2-[2-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]ethoxy]acetate
Also Known As: Di(Pentafluorophenyl) (ethy1enedioxy)diacetate, 3,6-dioxoctanedioic acid bis-pfp ester, Di(Pentafluorophenyl)(ethy1enedioxy)diacetate, J2.002.995A, K-4505
| Molecular Formula | C18H8F10O6 |
| Molecular Weight | 510.0161 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 510.0161 Da |
| Heavy Atoms | 34 |
| Complexity | 604.0 |
| SMILES | C(COCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)OCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | KAVYOIKWZICKBZ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Di(Pentafluorophenyl) (ethy1enedioxy)diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Di(Pentafluorophenyl) (ethy1enedioxy)diacetate. Following Lipinski's Rule of Five, Di(Pentafluorophenyl) (ethy1enedioxy)diacetate has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Di(Pentafluorophenyl) (ethy1enedioxy)diacetate is 139360-39-7.
The molecular formula of Di(Pentafluorophenyl) (ethy1enedioxy)diacetate is C18H8F10O6.
The molecular weight of Di(Pentafluorophenyl) (ethy1enedioxy)diacetate is 510.0161 g/mol.
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