4-(3-bromophenyl)-8-(trifluoromethyl)quinoline

C16H9BrF3N — CID 68877417

IUPAC4-(3-bromophenyl)-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(-c3cccc(Br)c3)ccnc12
InChIInChI=1S/C16H9BrF3N/c17-11-4-1-3-10(9-11)12-7-8-21-15-13(12)5-2-6-14(15)16(18,19)20/h1-9H
InChIKeyCPUKBJCLLYQXHP-UHFFFAOYSA-N
MW352.15 g/mol
LogP5.68
Rot. Bonds1

About 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline

4-(3-bromophenyl)-8-(trifluoromethyl)quinoline (PubChem CID 68877417) has the molecular formula C16H9BrF3N and a molecular weight of 352.15 g/mol. Its IUPAC name is 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(3-bromophenyl)-8-(trifluoromethyl)quinoline
PubChem CID68877417
Molecular FormulaC16H9BrF3N
Molecular Weight352.15 g/mol
Exact Mass350.99
IUPAC Name4-(3-bromophenyl)-8-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cccc2c(-c3cccc(Br)c3)ccnc12
InChIInChI=1S/C16H9BrF3N/c17-11-4-1-3-10(9-11)12-7-8-21-15-13(12)5-2-6-14(15)16(18,19)20/h1-9H
InChIKeyCPUKBJCLLYQXHP-UHFFFAOYSA-N
XLogP5.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.15
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(3-bromophenyl)-8-(trifluoromethyl)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 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline (CID 68877417) is 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline is FC(F)(F)c1cccc2c(-c3cccc(Br)c3)ccnc12.
What is the InChIKey of 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline?
The InChIKey is CPUKBJCLLYQXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3N/c17-11-4-1-3-10(9-11)12-7-8-21-15-13(12)5-2-6-14(15)16(18,19)20/h1-9H.
What are the key properties of 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline?
4-(3-bromophenyl)-8-(trifluoromethyl)quinoline has a molecular weight of 352.15 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 68877417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).