![4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one structure](/static/products/1518/151868-17-6.webp)
4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one
TL;DR: 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one (CAS 151868-17-6) is a chemical compound with molecular formula C11H9F3O and molecular weight 214.06055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(trifluoromethyl)phenyl]but-3-en-2-one
Also Known As: 4-[4-(trifluoromethyl)phenyl]but-3-en-2-one, 4-(4-trifluoromethyphenyl)-3-butene-2-one, 1-[4-(Trifluoromethyl)phenyl]but-1-en-3-one, 2-Fluoro-3-(trifluoromethyl)anisole, 4-(4-(Trifluoromethyl)phenyl)but-3-en-2-one
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H9F3O |
| Molecular Weight | 214.06055 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.06055 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CC(=O)C=CC1=CC=C(C=C1)C(F)(F)F |
| InChIKey | PHVQEHOBDSECPV-UHFFFAOYSA-N |
Chemical Property Profile of 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one
Property Insights of 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one
The XLogP value of 3.0 indicates that 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-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, 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-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
What is the CAS number of 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one?
The CAS number of 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one is 151868-17-6.
What is the molecular formula of 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one?
The molecular formula of 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one is C11H9F3O.
What is the molecular weight of 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one?
The molecular weight of 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one is 214.06055 g/mol.
Where can I buy 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one?
You can request a quote for 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 4-[4-(Trifluoromethyl)phenyl]but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.