![(E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one structure](/static/products/116/1164453-50-2.webp)
(E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one
TL;DR: (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one (CAS 1164453-50-2) is a chemical compound with molecular formula C13H12F5NO and molecular weight 293.0839 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoropent-1-en-3-one
Also Known As: (1E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoropent-1-en-3-one, (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one, (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoropent-1-en-3-one, 9R-1072, (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-pent-1-en-3-one
Technical Specifications
| Molecular Formula | C13H12F5NO |
| Molecular Weight | 293.0839 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.0839 Da |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
| SMILES | CN(CC1=CC=CC=C1)/C=C/C(=O)C(C(F)(F)F)(F)F |
| InChIKey | WDHPKGMMEZURPK-BQYQJAHWSA-N |
Chemical Property Profile of (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one
Property Insights of (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one
The XLogP value of 3.6 indicates that (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-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, (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one?
The CAS number of (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one is 1164453-50-2.
What is the molecular formula of (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one?
The molecular formula of (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one is C13H12F5NO.
What is the molecular weight of (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one?
The molecular weight of (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one is 293.0839 g/mol.
Where can I buy (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one?
You can request a quote for (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one?
Yes, CoreyChem provides custom synthesis services for (E)-1-[benzyl(methyl)amino]-4,4,5,5,5-pentafluoro-1-penten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.