TL;DR: 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene (CAS 14055-44-8) is a chemical compound with molecular formula C12BrF9O and molecular weight 409.89886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzene
Also Known As: 4-Bromoperfluorodiphenyl ether, 4-Bromononafluorodiphenyl ether, 1-(4-BROMO-2,3,5,6-TETRAFLUOROPHENOXY)-2,3,4,5,6-PENTAFLUOROBENZENE, 1-bromo-2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)benzene, 1-bromo-2,3,5,6-tetrafluoro-4-pentafluorophenoxybenzene
| Molecular Formula | C12BrF9O |
| Molecular Weight | 409.89886 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.89886 Da |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)OC2=C(C(=C(C(=C2F)F)Br)F)F |
| InChIKey | UHIGTBMVQHTRMG-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene is 14055-44-8.
The molecular formula of 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene is C12BrF9O.
The molecular weight of 1-(4-Bromo-2,3,5,6-tetrafluorophenoxy)-2,3,4,5,6-pentafluorobenzene is 409.89886 g/mol.
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