2-Phenyl-4'-trifluoromethylacetophenone
TL;DR: 2-Phenyl-4'-trifluoromethylacetophenone (CAS 61062-55-3) is a chemical compound with molecular formula C15H11F3O and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone
Also Known As: 2-Phenyl-4'-trifluoromethylacetophenone, 2-phenyl-1-(4-(trifluoromethyl)phenyl)ethanone, 2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone, 4-(Trifluoromethyl)deoxybenzoin, 6635AE
| Molecular Formula | C15H11F3O |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.0762 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 61062-55-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | SOHDNUBGOFCYMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-4'-trifluoromethylacetophenone (CAS 61062-55-3), with molecular formula C15H11F3O and molecular weight 264.08 g/mol. IUPAC: 2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 2-Phenyl-4'-trifluoromethylacetophenone
Property Insights of 2-Phenyl-4'-trifluoromethylacetophenone
The XLogP value of 4.1 indicates that 2-Phenyl-4'-trifluoromethylacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Phenyl-4'-trifluoromethylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4'-trifluoromethylacetophenone has 0 hydrogen bond donor(s) and 4 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 2-Phenyl-4'-trifluoromethylacetophenone?
The CAS number of 2-Phenyl-4'-trifluoromethylacetophenone is 61062-55-3.
What is the molecular formula of 2-Phenyl-4'-trifluoromethylacetophenone?
The molecular formula of 2-Phenyl-4'-trifluoromethylacetophenone is C15H11F3O.
What is the molecular weight of 2-Phenyl-4'-trifluoromethylacetophenone?
The molecular weight of 2-Phenyl-4'-trifluoromethylacetophenone is 264.08 g/mol.
Where can I buy 2-Phenyl-4'-trifluoromethylacetophenone?
You can request a quote for 2-Phenyl-4'-trifluoromethylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4'-trifluoromethylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4'-trifluoromethylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.