TL;DR: Perfluoro-3,6,9-trioxadecanoic acid (CAS 151772-59-7) is a chemical compound with molecular formula C7HF13O5 and molecular weight 411.96164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]acetic acid
Also Known As: Perfluoro-3,6,9-trioxadecanoic acid, PFO3DoDA, C7HF13O5, 1-bromo-2-(bromomethyl)naphthalene, 4714AD
| Molecular Formula | C7HF13O5 |
| Molecular Weight | 411.96164 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.96164 Da |
| Heavy Atoms | 25 |
| Complexity | 497.0 |
| SMILES | C(=O)(C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O |
| InChIKey | GNQWOKPKDHCUSB-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Perfluoro-3,6,9-trioxadecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Perfluoro-3,6,9-trioxadecanoic acid. Following Lipinski's Rule of Five, Perfluoro-3,6,9-trioxadecanoic acid has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Perfluoro-3,6,9-trioxadecanoic acid is 151772-59-7.
The molecular formula of Perfluoro-3,6,9-trioxadecanoic acid is C7HF13O5.
The molecular weight of Perfluoro-3,6,9-trioxadecanoic acid is 411.96164 g/mol.
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