3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone
TL;DR: 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone (CAS 261763-00-2) is a chemical compound with molecular formula C9H5ClF4O and molecular weight 240.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethanone
Also Known As: 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone, 1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethanone, 1-(3-Chloro-2-fluoro-5-(trifluoromethyl)phenyl)ethan-1-one, 1-acetyl-3-chloro-2-fluoro-5-(trifluoromethyl)benzene, 1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethan-1-one
| Molecular Formula | C9H5ClF4O |
|---|---|
| Molecular Weight | 240.00 g/mol |
| LogP | 3.7005 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.9965 |
| Heavy Atoms | 15 |
| Complexity | 411.30875 |
Chemical Identifiers
| CAS Number | 261763-00-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=CC(=C1)C(F)(F)F)Cl)F |
Product Overview
3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone (CAS 261763-00-2), with molecular formula C9H5ClF4O and molecular weight 240.00 g/mol. IUPAC: 1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone
Property Insights of 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone
The XLogP value of 3.7005 indicates that 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone 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 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone?
The CAS number of 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone is 261763-00-2.
What is the molecular formula of 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone?
The molecular formula of 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone is C9H5ClF4O.
What is the molecular weight of 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone?
The molecular weight of 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone is 240.00 g/mol.
Where can I buy 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone?
You can request a quote for 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Chloro-2'-fluoro-5'-(trifluoromethyl)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.