![1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one structure](/static/products/1164/1164537-19-2.webp)
1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one
TL;DR: 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one (CAS 1164537-19-2) is a chemical compound with molecular formula C12H9F6NO and molecular weight 297.06 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]pent-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]-3-penten-2-one, 1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one
| Molecular Formula | C12H9F6NO |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 4.1525 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.05884 |
| Heavy Atoms | 20 |
| Complexity | 512.23444 |
Chemical Identifiers
| CAS Number | 1164537-19-2 |
|---|---|
| SMILES | CC(=CC(=O)C(F)(F)F)NC1=CC=C(C=C1)C(F)(F)F |
Product Overview
1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one (CAS 1164537-19-2), with molecular formula C12H9F6NO and molecular weight 297.06 g/mol. IUPAC: 1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one
Property Insights of 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one
The XLogP value of 4.1525 indicates that 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-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, 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-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 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one?
The CAS number of 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one is 1164537-19-2.
What is the molecular formula of 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one?
The molecular formula of 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one is C12H9F6NO.
What is the molecular weight of 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one?
The molecular weight of 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one is 297.06 g/mol.
Where can I buy 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one?
You can request a quote for 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-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 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-[4-(trifluoromethyl)anilino]pent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.