1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
TL;DR: 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone (CAS 477334-16-0) is a chemical compound with molecular formula C16H13F4NO and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one
Also Known As: 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)anilino]-1-propanone, 1-(4-Fluorophenyl)-3-((4-(trifluoromethyl)phenyl)amino)propan-1-one, 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one, 1-(4-FLUOROPHENYL)-3-(4-(TRIFLUOROMETHYL)ANILINO)-1-PROPANONE, 1-(4-fluorophenyl)-3-[[4-(trifluoromethyl)phenyl]amino]propan-1-one
| Molecular Formula | C16H13F4NO |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 4.5294 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.09332 |
| Heavy Atoms | 22 |
| Complexity | 632.69055 |
Chemical Identifiers
| CAS Number | 477334-16-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCNC2=CC=C(C=C2)C(F)(F)F)F |
Product Overview
1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone (CAS 477334-16-0), with molecular formula C16H13F4NO and molecular weight 311.09 g/mol. IUPAC: 1-(4-fluorophenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one.
Chemical Property Profile of 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
Property Insights of 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
The XLogP value of 4.5294 indicates that 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone 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-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone 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-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
The CAS number of 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone is 477334-16-0.
What is the molecular formula of 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
The molecular formula of 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone is C16H13F4NO.
What is the molecular weight of 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
The molecular weight of 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone is 311.09 g/mol.
Where can I buy 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
You can request a quote for 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.