![(E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one structure](/static/products/4780/478040-72-1.webp)
(E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one
TL;DR: (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one (CAS 478040-72-1) is a chemical compound with molecular formula C11H7F6NO and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one
Also Known As: (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one, 1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one
| Molecular Formula | C11H7F6NO |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 3.7624 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.04318 |
| Heavy Atoms | 19 |
| Complexity | 471.44415 |
Chemical Identifiers
| CAS Number | 478040-72-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)NC=CC(=O)C(F)(F)F |
Product Overview
(E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one (CAS 478040-72-1), with molecular formula C11H7F6NO and molecular weight 283.04 g/mol. IUPAC: 1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one.
Chemical Property Profile of (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one
Property Insights of (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one
The XLogP value of 3.7624 indicates that (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-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, (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one?
The CAS number of (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one is 478040-72-1.
What is the molecular formula of (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one?
The molecular formula of (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one is C11H7F6NO.
What is the molecular weight of (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one?
The molecular weight of (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one is 283.04 g/mol.
Where can I buy (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one?
You can request a quote for (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.