2-Fluoro-4-methyl-1-(trifluoromethyl)benzene
TL;DR: 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene (CAS 158364-83-1) is a chemical compound with molecular formula C8H6F4 and molecular weight 178.04056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-4-methyl-1-(trifluoromethyl)benzene
Also Known As: 2-fluoro-4-methyl-1-(trifluoromethyl)benzene, 2-fluoro-4-methylbenzotrifluoride, 3-Fluoro-4-(trifluoromethyl)toluene, 2-Fluoro-4-methylbenzotrifluoride 97%, 2-FLRO-4-METHLBENZOTRIFLRID 1G.
Technical Specifications
| Molecular Formula | C8H6F4 |
| Molecular Weight | 178.04056 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.04056 Da |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| SMILES | CC1=CC(=C(C=C1)C(F)(F)F)F |
| InChIKey | GWWHXSLLCSBGRO-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene
Property Insights of 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene
The XLogP value of 3.3 indicates that 2-Fluoro-4-methyl-1-(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, 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene 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 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene?
The CAS number of 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene is 158364-83-1.
What is the molecular formula of 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene?
The molecular formula of 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene is C8H6F4.
What is the molecular weight of 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene?
The molecular weight of 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene is 178.04056 g/mol.
Where can I buy 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene?
You can request a quote for 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-4-methyl-1-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.