3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
TL;DR: 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one (CAS 163667-29-6) is a chemical compound with molecular formula C10H6ClF3O2 and molecular weight 250.00084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
Also Known As: 3-chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
Technical Specifications
| Molecular Formula | C10H6ClF3O2 |
| Molecular Weight | 250.00084 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.00084 Da |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
| SMILES | C1=CC=C(C=C1)C(=C(C(=O)C(F)(F)F)Cl)O |
| InChIKey | SEAIHAMDKVIGDN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
Property Insights of 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
The XLogP value of 4.0 indicates that 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-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 37.3 Ų, 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The CAS number of 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is 163667-29-6.
What is the molecular formula of 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The molecular formula of 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is C10H6ClF3O2.
What is the molecular weight of 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The molecular weight of 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is 250.00084 g/mol.
Where can I buy 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
You can request a quote for 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.