3'-tert-Butyl-2,2,2-trifluoroacetophenone
TL;DR: 3'-tert-Butyl-2,2,2-trifluoroacetophenone (CAS 155628-03-8) is a chemical compound with molecular formula C12H13F3O and molecular weight 230.09184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-tert-butylphenyl)-2,2,2-trifluoroethanone
Also Known As: starbld0038391, 3'-tert-Butyl-2,2,2-trifluoroacetophenone, m-tertbutyl trifluoroacetophenone, 1-(3-(Tert-butyl)phenyl)-2,2,2-trifluoroethanone, 1-(3-(tert-Butyl)phenyl)-2,2,2-trifluoroethan-1-one
Technical Specifications
| Molecular Formula | C12H13F3O |
| Molecular Weight | 230.09184 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.09184 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CC(C)(C)C1=CC=CC(=C1)C(=O)C(F)(F)F |
| InChIKey | XAZQUPBUJONHAF-UHFFFAOYSA-N |
Chemical Property Profile of 3'-tert-Butyl-2,2,2-trifluoroacetophenone
Property Insights of 3'-tert-Butyl-2,2,2-trifluoroacetophenone
The XLogP value of 4.4 indicates that 3'-tert-Butyl-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'-tert-Butyl-2,2,2-trifluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-tert-Butyl-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'-tert-Butyl-2,2,2-trifluoroacetophenone?
The CAS number of 3'-tert-Butyl-2,2,2-trifluoroacetophenone is 155628-03-8.
What is the molecular formula of 3'-tert-Butyl-2,2,2-trifluoroacetophenone?
The molecular formula of 3'-tert-Butyl-2,2,2-trifluoroacetophenone is C12H13F3O.
What is the molecular weight of 3'-tert-Butyl-2,2,2-trifluoroacetophenone?
The molecular weight of 3'-tert-Butyl-2,2,2-trifluoroacetophenone is 230.09184 g/mol.
Where can I buy 3'-tert-Butyl-2,2,2-trifluoroacetophenone?
You can request a quote for 3'-tert-Butyl-2,2,2-trifluoroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-tert-Butyl-2,2,2-trifluoroacetophenone?
Yes, CoreyChem provides custom synthesis services for 3'-tert-Butyl-2,2,2-trifluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.