![4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one structure](/static/products/2156/215655-02-0.webp)
4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
TL;DR: 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one (CAS 215655-02-0) is a chemical compound with molecular formula C11H6ClF6NO and molecular weight 317.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
Also Known As: 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
| Molecular Formula | C11H6ClF6NO |
|---|---|
| Molecular Weight | 317.00 g/mol |
| LogP | 4.4158 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0042 |
| Heavy Atoms | 20 |
| Complexity | 534.6954 |
Chemical Identifiers
| CAS Number | 215655-02-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC=CC(=O)C(F)(F)F)C(F)(F)F)Cl |
Product Overview
4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one (CAS 215655-02-0), with molecular formula C11H6ClF6NO and molecular weight 317.00 g/mol. IUPAC: 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
Property Insights of 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one
The XLogP value of 4.4158 indicates that 4-[4-chloro-3-(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-[4-chloro-3-(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-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
The CAS number of 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one is 215655-02-0.
What is the molecular formula of 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
The molecular formula of 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one is C11H6ClF6NO.
What is the molecular weight of 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
The molecular weight of 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one is 317.00 g/mol.
Where can I buy 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
You can request a quote for 4-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-chloro-3-(trifluoromethyl)anilino]-1,1,1-trifluorobut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.