TL;DR: (2E)-1-(3-Chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one (CAS 1004211-97-5) is a chemical compound with molecular formula C15H10ClFO and molecular weight 260.04044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(3-chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
Also Known As: (2E)-1-(3-Chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one, (E)-1-(3-chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
| Molecular Formula | C15H10ClFO |
| Molecular Weight | 260.04044 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.04044 Da |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
| SMILES | C1=CC(=CC(=C1)F)/C=C/C(=O)C2=CC(=CC=C2)Cl |
| InChIKey | DRSKKFRNJXRFEO-BQYQJAHWSA-N |
The XLogP value of 4.4 indicates that (2E)-1-(3-Chlorophenyl)-3-(3-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, (2E)-1-(3-Chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(3-Chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-1-(3-Chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one is 1004211-97-5.
The molecular formula of (2E)-1-(3-Chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one is C15H10ClFO.
The molecular weight of (2E)-1-(3-Chlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one is 260.04044 g/mol.
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