![4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one structure](/static/products/2156/215654-85-6.webp)
4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
TL;DR: 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one (CAS 215654-85-6) is a chemical compound with molecular formula C12H6F9NO and molecular weight 351.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,5-bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-[3,5-di(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one, 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,1,1-trifluoro-but-3-en-2-one, 4-[3,5-bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
| Molecular Formula | C12H6F9NO |
|---|---|
| Molecular Weight | 351.03 g/mol |
| LogP | 4.7812 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.03058 |
| Heavy Atoms | 23 |
| Complexity | 578.1781 |
Chemical Identifiers
| CAS Number | 215654-85-6 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)NC=CC(=O)C(F)(F)F)C(F)(F)F |
Product Overview
4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one (CAS 215654-85-6), with molecular formula C12H6F9NO and molecular weight 351.03 g/mol. IUPAC: 4-[3,5-bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
Property Insights of 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 4.7812 indicates that 4-[3,5-Bis(trifluoromethyl)anilino]-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, 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-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 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one is 215654-85-6.
What is the molecular formula of 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one is C12H6F9NO.
What is the molecular weight of 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one is 351.03 g/mol.
Where can I buy 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[3,5-Bis(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.