TL;DR: 2,2-Dichloro-1,1,1,4,4,4-hexafluorobutane (CAS 162462-08-0) is a chemical compound with molecular formula C4H2Cl2F6 and molecular weight 233.94377 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichloro-1,1,1,4,4,4-hexafluorobutane
Also Known As: 2,2-dichloro-1,1,1,4,4,4-hexafluorobutane, 5209AD, 2,2-dichloro-1,1,1,4,4,4-hexafluoro-butane, Butane,2,2-dichloro-1,1,1,4,4,4-hexafluoro-, Butane, 2,2-dichloro-1,1,1,4,4,4-hexafluoro-
| Molecular Formula | C4H2Cl2F6 |
| Molecular Weight | 233.94377 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.94377 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | C(C(C(F)(F)F)(Cl)Cl)C(F)(F)F |
| InChIKey | AOERTVADMVAHAA-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2,2-Dichloro-1,1,1,4,4,4-hexafluorobutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-Dichloro-1,1,1,4,4,4-hexafluorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloro-1,1,1,4,4,4-hexafluorobutane has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2-Dichloro-1,1,1,4,4,4-hexafluorobutane is 162462-08-0.
The molecular formula of 2,2-Dichloro-1,1,1,4,4,4-hexafluorobutane is C4H2Cl2F6.
The molecular weight of 2,2-Dichloro-1,1,1,4,4,4-hexafluorobutane is 233.94377 g/mol.
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