(3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
TL;DR: (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one (CAS 142503-25-1) is a chemical compound with molecular formula C6H8F3NO and molecular weight 167.0558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one, (E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one, HmVHpAhIAICICHiCLeJifhDM@, (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one, 3-Buten-2-one, 4-(dimethylamino)-1,1,1-trifluoro-, (3E)-
Technical Specifications
| Molecular Formula | C6H8F3NO |
| Molecular Weight | 167.0558 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.0558 Da |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
| SMILES | CN(C)/C=C/C(=O)C(F)(F)F |
| InChIKey | OPFMBYIQGSJDOB-ONEGZZNKSA-N |
Chemical Property Profile of (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
Property Insights of (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one. With a topological polar surface area (TPSA) of 20.3 Ų, (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
The CAS number of (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one is 142503-25-1.
What is the molecular formula of (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one is C6H8F3NO.
What is the molecular weight of (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one is 167.0558 g/mol.
Where can I buy (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for (3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.