(3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
TL;DR: (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one (CAS 134219-70-8) is a chemical compound with molecular formula C11H10F3NO and molecular weight 229.07144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
Also Known As: (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one, 4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one, (E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one, AB01094309-03, 4R-0611
Technical Specifications
| Molecular Formula | C11H10F3NO |
| Molecular Weight | 229.07144 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.07144 Da |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
| SMILES | C1=CC=C(C=C1)CN/C=C/C(=O)C(F)(F)F |
| InChIKey | ZVATZGWONTYIIZ-VOTSOKGWSA-N |
Chemical Property Profile of (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
Property Insights of (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 3.3 indicates that (3E)-4-(benzylamino)-1,1,1-trifluorobut-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, (3E)-4-(benzylamino)-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-(benzylamino)-1,1,1-trifluorobut-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 (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one?
The CAS number of (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one is 134219-70-8.
What is the molecular formula of (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one is C11H10F3NO.
What is the molecular weight of (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one is 229.07144 g/mol.
Where can I buy (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for (3E)-4-(benzylamino)-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-(benzylamino)-1,1,1-trifluorobut-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.