About 3-phenyl-7-(trifluoromethyl)quinoline
3-phenyl-7-(trifluoromethyl)quinoline (PubChem CID 86031404) has the molecular formula C16H10F3N
and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-phenyl-7-(trifluoromethyl)quinoline.
Molecular Properties
| Compound Name | 3-phenyl-7-(trifluoromethyl)quinoline |
| PubChem CID | 86031404 |
| Molecular Formula | C16H10F3N |
| Molecular Weight | 273.26 g/mol |
| Exact Mass | 273.08 |
| IUPAC Name | 3-phenyl-7-(trifluoromethyl)quinoline |
| SMILES | FC(F)(F)c1ccc2cc(-c3ccccc3)cnc2c1 |
| InChI | InChI=1S/C16H10F3N/c17-16(18,19)14-7-6-12-8-13(10-20-15(12)9-14)11-4-2-1-3-5-11/h1-10H |
| InChIKey | YYRMAHJZCYJRJP-UHFFFAOYSA-N |
| XLogP | 4.92 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 273.26 |
| LogP ≤ 5 | 4.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 3-phenyl-7-(trifluoromethyl)quinoline?
The IUPAC name of 3-phenyl-7-(trifluoromethyl)quinoline (CID 86031404) is 3-phenyl-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-phenyl-7-(trifluoromethyl)quinoline?
The canonical SMILES for 3-phenyl-7-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2cc(-c3ccccc3)cnc2c1.
What is the InChIKey of 3-phenyl-7-(trifluoromethyl)quinoline?
The InChIKey is YYRMAHJZCYJRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N/c17-16(18,19)14-7-6-12-8-13(10-20-15(12)9-14)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 3-phenyl-7-(trifluoromethyl)quinoline?
3-phenyl-7-(trifluoromethyl)quinoline has a molecular weight of 273.26 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 86031404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).