![1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one structure](/static/products/1164/1164457-71-9.webp)
1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one
TL;DR: 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one (CAS 1164457-71-9) is a chemical compound with molecular formula C11H7F6NO2 and molecular weight 299.0381 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-4-[4-(trifluoromethoxy)anilino]but-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one, (E)-1,1,1-trifluoro-4-[4-(trifluoromethoxy)anilino]-3-buten-2-one, 1,1,1-trifluoro-4-[4-(trifluoromethoxy)anilino]but-3-en-2-one
Technical Specifications
| Molecular Formula | C11H7F6NO2 |
| Molecular Weight | 299.0381 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.0381 Da |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
| SMILES | C1=CC(=CC=C1NC=CC(=O)C(F)(F)F)OC(F)(F)F |
| InChIKey | ZKCOFNGKINQHNL-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one
Property Insights of 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one
The XLogP value of 4.6 indicates that 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one?
The CAS number of 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one is 1164457-71-9.
What is the molecular formula of 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one?
The molecular formula of 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one is C11H7F6NO2.
What is the molecular weight of 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one?
The molecular weight of 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one is 299.0381 g/mol.
Where can I buy 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one?
You can request a quote for 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trifluoro-4-{[4-(trifluoromethoxy)phenyl]amino}but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.