TL;DR: 4-(2-Chloroethoxy)-2',4'-difluoro-1,1'-biphenyl (CAS 131612-88-9) is a chemical compound with molecular formula C14H11ClF2O and molecular weight 268.04666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(2-chloroethoxy)phenyl]-2,4-difluorobenzene
Also Known As: 2',4'-difluoro-4(2-chloroethoxy)biphenyl, 2',4'-difluoro-4-(2-chloroethoxy)biphenyl, 1-[4-(2-chloroethoxy)phenyl]-2,4-difluoro-benzene, 1-[4-(2-chloroethoxy)phenyl]-2,4-difluorobenzene, 4-(2-chloroethoxy)-2',4'-difluoro-1,1'-biphenyl
| Molecular Formula | C14H11ClF2O |
| Molecular Weight | 268.04666 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.04666 Da |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
| SMILES | C1=CC(=CC=C1C2=C(C=C(C=C2)F)F)OCCCl |
| InChIKey | PJXPCBDPDBKEDG-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 4-(2-Chloroethoxy)-2',4'-difluoro-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-(2-Chloroethoxy)-2',4'-difluoro-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloroethoxy)-2',4'-difluoro-1,1'-biphenyl has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(2-Chloroethoxy)-2',4'-difluoro-1,1'-biphenyl is 131612-88-9.
The molecular formula of 4-(2-Chloroethoxy)-2',4'-difluoro-1,1'-biphenyl is C14H11ClF2O.
The molecular weight of 4-(2-Chloroethoxy)-2',4'-difluoro-1,1'-biphenyl is 268.04666 g/mol.
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