1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one
TL;DR: 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one (CAS 117898-57-4) is a chemical compound with molecular formula C10H9F3O2 and molecular weight 218.05547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-4-(4-hydroxyphenyl)butan-2-one
Also Known As: 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one, OH-Tpb, KST-1B0341, 1,1,1-Trifluoro-4-(4-hydroxyphenyl)-2-butanone, 2-Butanone, 1,1,1-trifluoro-4-(4-hydroxyphenyl)-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.05547 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.05547 Da |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
| SMILES | C1=CC(=CC=C1CCC(=O)C(F)(F)F)O |
| InChIKey | AGHAHUKOERNMBX-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one
Property Insights of 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-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 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one?
The CAS number of 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one is 117898-57-4.
What is the molecular formula of 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one?
The molecular formula of 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one is C10H9F3O2.
What is the molecular weight of 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one?
The molecular weight of 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one is 218.05547 g/mol.
Where can I buy 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one?
You can request a quote for 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Trifluoro-4-(4-hydroxyphenyl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.