2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
TL;DR: 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one (CAS 100700-42-3) is a chemical compound with molecular formula C11H7ClF6O2 and molecular weight 320.00388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
Also Known As: 2-chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one, BUTYROPHENONE, 2-CHLORO-3-HYDROXY-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-, 1-Butanone, 2-chloro-3-hydroxy-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-, 2-Chloro-3-hydroxy-1-phenyl-4,4,4-trifluoro-3-trifluoromethyl-1-butanone, 1-Butanone, 2-chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C11H7ClF6O2 |
| Molecular Weight | 320.00388 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.00388 Da |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C(C(C(F)(F)F)(C(F)(F)F)O)Cl |
| InChIKey | UJWHSVKCFXWUQT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
Property Insights of 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one
The XLogP value of 3.7 indicates that 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-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, 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one?
The CAS number of 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one is 100700-42-3.
What is the molecular formula of 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one?
The molecular formula of 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one is C11H7ClF6O2.
What is the molecular weight of 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one?
The molecular weight of 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one is 320.00388 g/mol.
Where can I buy 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one?
You can request a quote for 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.