3-[3-(trifluoromethyl)phenyl]quinoline

C16H10F3N — CID 102430872

IUPAC3-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C16H10F3N/c17-16(18,19)14-6-3-5-11(9-14)13-8-12-4-1-2-7-15(12)20-10-13/h1-10H
InChIKeyUSHQCASVRHYUJK-UHFFFAOYSA-N
MW273.26 g/mol
LogP4.92
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]quinoline

3-[3-(trifluoromethyl)phenyl]quinoline (PubChem CID 102430872) has the molecular formula C16H10F3N and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]quinoline
PubChem CID102430872
Molecular FormulaC16H10F3N
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name3-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2cnc3ccccc3c2)c1
InChIInChI=1S/C16H10F3N/c17-16(18,19)14-6-3-5-11(9-14)13-8-12-4-1-2-7-15(12)20-10-13/h1-10H
InChIKeyUSHQCASVRHYUJK-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-[3-(trifluoromethyl)phenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]quinoline (CID 102430872) is 3-[3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]quinoline is FC(F)(F)c1cccc(-c2cnc3ccccc3c2)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is USHQCASVRHYUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N/c17-16(18,19)14-6-3-5-11(9-14)13-8-12-4-1-2-7-15(12)20-10-13/h1-10H.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]quinoline?
3-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 102430872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).