TL;DR: 1,3-Bis(4-fluorophenyl)prop-2-en-1-one (CAS 102692-35-3) is a chemical compound with molecular formula C15H10F2O and molecular weight 244.06998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(4-fluorophenyl)prop-2-en-1-one
Also Known As: 4,4'-Difluorochalcone, 4,4-difluorochalcone, trans-4,4'-Difluorochalcone, (E)-1,3-bis(4-fluorophenyl)prop-2-en-1-one, 1,3-bis(4-fluorophenyl)prop-2-en-1-one
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H10F2O |
| Molecular Weight | 244.06998 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.06998 Da |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)F)F |
| InChIKey | AZBVDMNDUOURGI-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1,3-Bis(4-fluorophenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Bis(4-fluorophenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(4-fluorophenyl)prop-2-en-1-one 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 1,3-Bis(4-fluorophenyl)prop-2-en-1-one is 102692-35-3.
The molecular formula of 1,3-Bis(4-fluorophenyl)prop-2-en-1-one is C15H10F2O.
The molecular weight of 1,3-Bis(4-fluorophenyl)prop-2-en-1-one is 244.06998 g/mol.
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