TL;DR: 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro- (CAS 10524-09-1) is a chemical compound with molecular formula C6F6 and molecular weight 185.99042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,6,6,6-hexafluorohexa-2,4-diyne
Also Known As: Perfluorohexa-2,4-diyne, hexafluorohex-2,4-diin, Hexafluoro-2,4-hexadiyne, Hexafluorohexa-2,4-diyne, CF3C.equiv.CC.equiv.CCF3
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6F6 |
| Molecular Weight | 185.99042 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.99042 Da |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
| SMILES | C(#CC(F)(F)F)C#CC(F)(F)F |
| InChIKey | IUMBVSOABSWHBN-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro-. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro- 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 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro- is 10524-09-1.
The molecular formula of 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro- is C6F6.
The molecular weight of 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro- is 185.99042 g/mol.
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