TL;DR: Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid (CAS 13252-14-7) is a chemical compound with molecular formula C9HF17O4 and molecular weight 495.96033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoic acid
Also Known As: Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid, 3-tetrafluoro-, mOPFLCA_vi, HFPO-TA, PFO2NA (dimer)
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9HF17O4 |
| Molecular Weight | 495.96033 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.96033 Da |
| Heavy Atoms | 30 |
| Complexity | 647.0 |
| SMILES | C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O |
| InChIKey | OIVQVBDAMYDDEM-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid has 1 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid is 13252-14-7.
The molecular formula of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid is C9HF17O4.
The molecular weight of Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid is 495.96033 g/mol.
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