![1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one structure](/static/products/8417/84175-48-4.webp)
1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one
TL;DR: 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one (CAS 84175-48-4) is a chemical compound with molecular formula C11H9F3O and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
Also Known As: 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one, 3-(Trifluoromethyl)benzylideneacetone, 4-[3-(trifluoromethyl)phenyl]but-3-en-2-one, 4-(3-trifluoromethylphenyl)-3-butene-2-one, 4-(3-(trifluoromethyl)phenyl)but-3-en-2-one
| Molecular Formula | C11H9F3O |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.06055 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 84175-48-4 |
|---|---|
| SMILES | CC(=O)C=CC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | WIFIQCQDQCBMCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one (CAS 84175-48-4), with molecular formula C11H9F3O and molecular weight 214.06 g/mol. IUPAC: 4-[3-(trifluoromethyl)phenyl]but-3-en-2-one.
Chemical Property Profile of 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one
Property Insights of 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one
The XLogP value of 3.0 indicates that 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one 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 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one?
The CAS number of 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one is 84175-48-4.
What is the molecular formula of 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one?
The molecular formula of 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one is C11H9F3O.
What is the molecular weight of 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one?
The molecular weight of 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one is 214.06 g/mol.
Where can I buy 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one?
You can request a quote for 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(Trifluoromethyl)phenyl]but-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.