1-(3-(Trifluoromethoxy)phenyl)ethanone
TL;DR: 1-(3-(Trifluoromethoxy)phenyl)ethanone (CAS 29261-33-4) is a chemical compound with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(trifluoromethoxy)phenyl]ethanone
Also Known As: 3'-(Trifluoromethoxy)acetophenone, 1-(3-(trifluoromethoxy)phenyl)ethanone, fxffor cv1, 1-[3-(trifluoromethoxy)phenyl]ethanone, 3-(Trifluoromethoxy)acetophenone
| Molecular Formula | C9H7F3O2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.03981 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 29261-33-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)OC(F)(F)F |
| InChIKey | UYHTUQHYGKAYJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-(Trifluoromethoxy)phenyl)ethanone (CAS 29261-33-4), with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol. IUPAC: 1-[3-(trifluoromethoxy)phenyl]ethanone.
Chemical Property Profile of 1-(3-(Trifluoromethoxy)phenyl)ethanone
Property Insights of 1-(3-(Trifluoromethoxy)phenyl)ethanone
The XLogP value of 3.1 indicates that 1-(3-(Trifluoromethoxy)phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(3-(Trifluoromethoxy)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(Trifluoromethoxy)phenyl)ethanone has 0 hydrogen bond donor(s) and 5 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-(Trifluoromethoxy)phenyl)ethanone?
The CAS number of 1-(3-(Trifluoromethoxy)phenyl)ethanone is 29261-33-4.
What is the molecular formula of 1-(3-(Trifluoromethoxy)phenyl)ethanone?
The molecular formula of 1-(3-(Trifluoromethoxy)phenyl)ethanone is C9H7F3O2.
What is the molecular weight of 1-(3-(Trifluoromethoxy)phenyl)ethanone?
The molecular weight of 1-(3-(Trifluoromethoxy)phenyl)ethanone is 204.04 g/mol.
Where can I buy 1-(3-(Trifluoromethoxy)phenyl)ethanone?
You can request a quote for 1-(3-(Trifluoromethoxy)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-(Trifluoromethoxy)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(Trifluoromethoxy)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.