1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone
TL;DR: 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone (CAS 693245-52-2) is a chemical compound with molecular formula C9H6ClF3O and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)phenyl]ethanone
Also Known As: 1-(3-chloro-5-(trifluoromethyl)phenyl)ethanone, 1-[3-chloro-5-(trifluoromethyl)phenyl]ethanone, 3'-CHLORO-5'-(TRIFLUOROMETHYL)ACETOPHENONE, 3'-chloro-5'-trifluoromethylacetophenone, 1-acetyl-5-chloro-3-(trifluoromethyl)benzene
| Molecular Formula | C9H6ClF3O |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 3.5614 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00592 |
| Heavy Atoms | 14 |
| Complexity | 370.8101 |
Chemical Identifiers
| CAS Number | 693245-52-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC(=C1)Cl)C(F)(F)F |
Product Overview
1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone (CAS 693245-52-2), with molecular formula C9H6ClF3O and molecular weight 222.01 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone
Property Insights of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone
The XLogP value of 3.5614 indicates that 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone has 0 hydrogen bond donor(s) and 1 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-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone?
The CAS number of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone is 693245-52-2.
What is the molecular formula of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone?
The molecular formula of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone is C9H6ClF3O.
What is the molecular weight of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone?
The molecular weight of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone is 222.01 g/mol.
Where can I buy 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone?
You can request a quote for 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.