![3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one structure](/static/products/1542/154258-42-1.webp)
3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one
TL;DR: 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one (CAS 154258-42-1) is a chemical compound with molecular formula C12H11F4NO and molecular weight 261.07767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one
Also Known As: 3-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one, (E)-3-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-propen-1-one, 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-propen-1-one, (2E)-3-(dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one, (E)-3-(dimethylamino)-1-(3-fluoro-5-(trifluoromethyl)phenyl)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C12H11F4NO |
| Molecular Weight | 261.07767 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.07767 Da |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
| SMILES | CN(C)C=CC(=O)C1=CC(=CC(=C1)F)C(F)(F)F |
| InChIKey | MCOKEDWZWYSAKF-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one
Property Insights of 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one
The XLogP value of 3.0 indicates that 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]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 20.3 Ų, 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
The CAS number of 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one is 154258-42-1.
What is the molecular formula of 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
The molecular formula of 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one is C12H11F4NO.
What is the molecular weight of 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
The molecular weight of 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one is 261.07767 g/mol.
Where can I buy 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
You can request a quote for 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(Dimethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.