2-Iodo-4-(trifluoromethyl)aniline
TL;DR: 2-Iodo-4-(trifluoromethyl)aniline (CAS 16344-17-5) is a chemical compound with molecular formula C7H5F3IN and molecular weight 286.9419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-iodo-4-(trifluoromethyl)aniline
Also Known As: 4-Amino-3-iodobenzotrifluoride, 2-iodo-4-(trifluoromethyl)aniline, Benzenamine, 2-iodo-4-(trifluoromethyl)-, 2-iodo-4-trifluoromethylaniline, 4-(trifluoromethyl)-2-iodobenzenamine
Technical Specifications
| Molecular Formula | C7H5F3IN |
| Molecular Weight | 286.9419 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.9419 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)I)N |
| InChIKey | UKKWTZPXYIYONW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Iodo-4-(trifluoromethyl)aniline
Property Insights of 2-Iodo-4-(trifluoromethyl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-4-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Iodo-4-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-4-(trifluoromethyl)aniline 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 2-Iodo-4-(trifluoromethyl)aniline?
The CAS number of 2-Iodo-4-(trifluoromethyl)aniline is 16344-17-5.
What is the molecular formula of 2-Iodo-4-(trifluoromethyl)aniline?
The molecular formula of 2-Iodo-4-(trifluoromethyl)aniline is C7H5F3IN.
What is the molecular weight of 2-Iodo-4-(trifluoromethyl)aniline?
The molecular weight of 2-Iodo-4-(trifluoromethyl)aniline is 286.9419 g/mol.
Where can I buy 2-Iodo-4-(trifluoromethyl)aniline?
You can request a quote for 2-Iodo-4-(trifluoromethyl)aniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Iodo-4-(trifluoromethyl)aniline?
Yes, CoreyChem provides custom synthesis services for 2-Iodo-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.