Trifluoromethyl toluidine
TL;DR: Trifluoromethyl toluidine (CAS 1110662-18-4) is a chemical compound with molecular formula C8H8F3N and molecular weight 175.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-(trifluoromethyl)aniline
Also Known As: 2-Methyl-3-(trifluoromethyl)aniline, 2-Methyl-3-trifluoromethylaniline, 3-Amino-2-methylbenzotrifluoride, 3-(Trifluoromethyl)-o-toluidine, 3-Amino-2-methyl
Technical Specifications
| Molecular Formula | C8H8F3N |
| Molecular Weight | 175.06088 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.06088 Da |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| SMILES | CC1=C(C=CC=C1N)C(F)(F)F |
| InChIKey | TWLDBACVSHADLI-UHFFFAOYSA-N |
Chemical Property Profile of Trifluoromethyl toluidine
Property Insights of Trifluoromethyl toluidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoromethyl toluidine. With a topological polar surface area (TPSA) of 26.0 Ų, Trifluoromethyl toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoromethyl toluidine has 1 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 Trifluoromethyl toluidine?
The CAS number of Trifluoromethyl toluidine is 1110662-18-4.
What is the molecular formula of Trifluoromethyl toluidine?
The molecular formula of Trifluoromethyl toluidine is C8H8F3N.
What is the molecular weight of Trifluoromethyl toluidine?
The molecular weight of Trifluoromethyl toluidine is 175.06088 g/mol.
Where can I buy Trifluoromethyl toluidine?
You can request a quote for Trifluoromethyl toluidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trifluoromethyl toluidine?
Yes, CoreyChem provides custom synthesis services for Trifluoromethyl toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.