![4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one structure](/static/products/2155/215519-29-2.webp)
4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one
TL;DR: 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one (CAS 215519-29-2) is a chemical compound with molecular formula C11H9ClF3NO and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chlorophenyl)methylamino]-1,1,1-trifluorobut-3-en-2-one
Also Known As: 3-Chloro-N-(3-oxo-4,4,4-trifluoro)but-1-enylbenzylamine, 4-[(3-chlorophenyl)methylamino]-1,1,1-trifluoro-but-3-en-2-one, 4-[(3-chlorophenyl)methylamino]-1,1,1-trifluorobut-3-en-2-one, 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one
| Molecular Formula | C11H9ClF3NO |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 3.0747 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.03247 |
| Heavy Atoms | 17 |
| Complexity | 428.96988 |
Chemical Identifiers
| CAS Number | 215519-29-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC=CC(=O)C(F)(F)F |
Product Overview
4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one (CAS 215519-29-2), with molecular formula C11H9ClF3NO and molecular weight 263.03 g/mol. IUPAC: 4-[(3-chlorophenyl)methylamino]-1,1,1-trifluorobut-3-en-2-one.
Chemical Property Profile of 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one
Property Insights of 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one
The XLogP value of 3.0747 indicates that 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-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, 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-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 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one?
The CAS number of 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one is 215519-29-2.
What is the molecular formula of 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one?
The molecular formula of 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one is C11H9ClF3NO.
What is the molecular weight of 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one?
The molecular weight of 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one is 263.03 g/mol.
Where can I buy 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one?
You can request a quote for 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-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 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(3-Chlorophenyl)methyl]amino]-1,1,1-trifluoro-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.