3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl
TL;DR: 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl (CAS 122801-54-1) is a chemical compound with molecular formula C14H11F3 and molecular weight 236.08128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-[4-(trifluoromethyl)phenyl]benzene
Also Known As: 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl, 3-Methyl-4 -trifluoromethylbiphenyl, 3-Methyl-4 -(trifluoromethyl)biphenyl, BB 0223421, J1.771.069I
Technical Specifications
| Molecular Formula | C14H11F3 |
| Molecular Weight | 236.08128 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.08128 Da |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
| SMILES | CC1=CC(=CC=C1)C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | MTCBMUQLMNMMRF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl
Property Insights of 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl
The XLogP value of 4.8 indicates that 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl has 0 hydrogen bond donor(s) and 3 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-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl?
The CAS number of 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl is 122801-54-1.
What is the molecular formula of 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl?
The molecular formula of 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl is C14H11F3.
What is the molecular weight of 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl?
The molecular weight of 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl is 236.08128 g/mol.
Where can I buy 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl?
You can request a quote for 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-4'-(trifluoromethyl)-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.