TL;DR: 3,3,4,4,5,5,5-Heptafluoropentanal (CAS 126015-32-5) is a chemical compound with molecular formula C5H3F7O and molecular weight 212.00722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,4,4,5,5,5-heptafluoropentanal
Also Known As: 3,3,4,4,5,5,5-heptafluoropentanal, methylnonafluorobutylether, J2.069.801B
| Molecular Formula | C5H3F7O |
| Molecular Weight | 212.00722 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.00722 Da |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
| SMILES | C(C=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | FNUBKINEQIEODM-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4,4,5,5,5-Heptafluoropentanal. With a topological polar surface area (TPSA) of 17.1 Ų, 3,3,4,4,5,5,5-Heptafluoropentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4,4,5,5,5-Heptafluoropentanal has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,3,4,4,5,5,5-Heptafluoropentanal is 126015-32-5.
The molecular formula of 3,3,4,4,5,5,5-Heptafluoropentanal is C5H3F7O.
The molecular weight of 3,3,4,4,5,5,5-Heptafluoropentanal is 212.00722 g/mol.
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