3'-iso-Propyl-2,2,2-trifluoroacetophenone
TL;DR: 3'-iso-Propyl-2,2,2-trifluoroacetophenone (CAS 155628-02-7) is a chemical compound with molecular formula C11H11F3O and molecular weight 216.0762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone
Also Known As: 3'-iso-Propyl-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(3-isopropylphenyl)ethanone, 2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethanone, 3'-isopropyl-2,2,2-trifluoroacetophenone, Ethanone, 2,2,2-trifluoro-1-[3-(1-methylethyl)phenyl]- (9CI)
Technical Specifications
| Molecular Formula | C11H11F3O |
| Molecular Weight | 216.0762 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0762 Da |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
| SMILES | CC(C)C1=CC(=CC=C1)C(=O)C(F)(F)F |
| InChIKey | VQYXARBYTICRRJ-UHFFFAOYSA-N |
Chemical Property Profile of 3'-iso-Propyl-2,2,2-trifluoroacetophenone
Property Insights of 3'-iso-Propyl-2,2,2-trifluoroacetophenone
The XLogP value of 3.8 indicates that 3'-iso-Propyl-2,2,2-trifluoroacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3'-iso-Propyl-2,2,2-trifluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-iso-Propyl-2,2,2-trifluoroacetophenone 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 3'-iso-Propyl-2,2,2-trifluoroacetophenone?
The CAS number of 3'-iso-Propyl-2,2,2-trifluoroacetophenone is 155628-02-7.
What is the molecular formula of 3'-iso-Propyl-2,2,2-trifluoroacetophenone?
The molecular formula of 3'-iso-Propyl-2,2,2-trifluoroacetophenone is C11H11F3O.
What is the molecular weight of 3'-iso-Propyl-2,2,2-trifluoroacetophenone?
The molecular weight of 3'-iso-Propyl-2,2,2-trifluoroacetophenone is 216.0762 g/mol.
Where can I buy 3'-iso-Propyl-2,2,2-trifluoroacetophenone?
You can request a quote for 3'-iso-Propyl-2,2,2-trifluoroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-iso-Propyl-2,2,2-trifluoroacetophenone?
Yes, CoreyChem provides custom synthesis services for 3'-iso-Propyl-2,2,2-trifluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.