4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one
TL;DR: 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one (CAS 1164453-46-6) is a chemical compound with molecular formula C13H14F3NO and molecular weight 257.10275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,5-dimethylanilino)-1,1,1-trifluoropent-3-en-2-one
Also Known As: (E)-4-(3,5-dimethylanilino)-1,1,1-trifluoro-3-penten-2-one, 4-(3,5-dimethylanilino)-1,1,1-trifluoropent-3-en-2-one
Technical Specifications
| Molecular Formula | C13H14F3NO |
| Molecular Weight | 257.10275 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.10275 Da |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
| SMILES | CC1=CC(=CC(=C1)NC(=CC(=O)C(F)(F)F)C)C |
| InChIKey | ITPASGJPVKYPDB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one
Property Insights of 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one
The XLogP value of 4.5 indicates that 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-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 29.1 Ų, 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one has 1 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 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one?
The CAS number of 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one is 1164453-46-6.
What is the molecular formula of 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one?
The molecular formula of 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one is C13H14F3NO.
What is the molecular weight of 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one?
The molecular weight of 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one is 257.10275 g/mol.
Where can I buy 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one?
You can request a quote for 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(3,5-Dimethylanilino)-1,1,1-trifluoropent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.