TL;DR: 3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol (CAS 64011-45-6) is a chemical compound with molecular formula C6H8F6O and molecular weight 210.04793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,4,5,5,5-hexafluoro-2-methylpentan-1-ol
Also Known As: 3,3,4,5,5,5-Hexafluoro-2-methyl-1-pentanol, 3,3,4,5,5,5-hexafluoro-2-methylpentan-1-ol, 1-Pentanol, 3,3,4,5,5,5-hexafluoro-2-methyl-
| Molecular Formula | C6H8F6O |
| Molecular Weight | 210.04793 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.04793 Da |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
| SMILES | CC(CO)C(C(C(F)(F)F)F)(F)F |
| InChIKey | CWMCAODVQDQZOC-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol is 64011-45-6.
The molecular formula of 3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol is C6H8F6O.
The molecular weight of 3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol is 210.04793 g/mol.
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