1-Methyl-2-(trifluoromethyl)benzene
TL;DR: 1-Methyl-2-(trifluoromethyl)benzene (CAS 144851-82-1) is a chemical compound with molecular formula C8H7F3 and molecular weight 160.04999 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-(trifluoromethyl)benzene
Also Known As: 2-Methylbenzotrifluoride, 1-methyl-2-(trifluoromethyl)benzene, 2-(Trifluoromethyl)toluene, trifluoromethyltoluene, 1-Methyl-2-trifluoromethyl-benzene
Technical Specifications
| Molecular Formula | C8H7F3 |
| Molecular Weight | 160.04999 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.04999 Da |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
| SMILES | CC1=CC=CC=C1C(F)(F)F |
| InChIKey | DVFVNJHIVAPTMS-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-2-(trifluoromethyl)benzene
Property Insights of 1-Methyl-2-(trifluoromethyl)benzene
The XLogP value of 3.2 indicates that 1-Methyl-2-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-2-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(trifluoromethyl)benzene 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 1-Methyl-2-(trifluoromethyl)benzene?
The CAS number of 1-Methyl-2-(trifluoromethyl)benzene is 144851-82-1.
What is the molecular formula of 1-Methyl-2-(trifluoromethyl)benzene?
The molecular formula of 1-Methyl-2-(trifluoromethyl)benzene is C8H7F3.
What is the molecular weight of 1-Methyl-2-(trifluoromethyl)benzene?
The molecular weight of 1-Methyl-2-(trifluoromethyl)benzene is 160.04999 g/mol.
Where can I buy 1-Methyl-2-(trifluoromethyl)benzene?
You can request a quote for 1-Methyl-2-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-2-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-2-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.