![1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one structure](/static/products/1336/133622-65-8.webp)
1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one
TL;DR: 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one (CAS 133622-65-8) is a chemical compound with molecular formula C9H6F4O and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanone
Also Known As: 2'-Fluoro-3'-(trifluoromethyl)acetophenone, 1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanone, 2-fluoro-3-(trifluoromethyl)acetophenone, 1-(2-Fluoro-3-(trifluoromethyl)phenyl)ethanone, 4-Methoxy-4-methyl-2-pentanol
| Molecular Formula | C9H6F4O |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 3.0471 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.03548 |
| Heavy Atoms | 14 |
| Complexity | 367.56497 |
Chemical Identifiers
| CAS Number | 133622-65-8 |
|---|---|
| SMILES | CC(=O)C1=C(C(=CC=C1)C(F)(F)F)F |
Product Overview
1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one (CAS 133622-65-8), with molecular formula C9H6F4O and molecular weight 206.04 g/mol. IUPAC: 1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one
Property Insights of 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one
The XLogP value of 3.0471 indicates that 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one 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-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one 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-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one?
The CAS number of 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one is 133622-65-8.
What is the molecular formula of 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one?
The molecular formula of 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one is C9H6F4O.
What is the molecular weight of 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one?
The molecular weight of 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one is 206.04 g/mol.
Where can I buy 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one?
You can request a quote for 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.