2,4-bis(trifluoromethyl)quinoline-6-carbonitrile

C12H4F6N2 — CID 164666836

IUPAC2,4-bis(trifluoromethyl)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(C(F)(F)F)cc(C(F)(F)F)c2c1
InChIInChI=1S/C12H4F6N2/c13-11(14,15)8-4-10(12(16,17)18)20-9-2-1-6(5-19)3-7(8)9/h1-4H
InChIKeyFWKFJXYCFRORSJ-UHFFFAOYSA-N
MW290.17 g/mol
LogP4.14
Rot. Bonds

About 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile

2,4-bis(trifluoromethyl)quinoline-6-carbonitrile (PubChem CID 164666836) has the molecular formula C12H4F6N2 and a molecular weight of 290.17 g/mol. Its IUPAC name is 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile.

Molecular Properties

Compound Name2,4-bis(trifluoromethyl)quinoline-6-carbonitrile
PubChem CID164666836
Molecular FormulaC12H4F6N2
Molecular Weight290.17 g/mol
Exact Mass290.03
IUPAC Name2,4-bis(trifluoromethyl)quinoline-6-carbonitrile
SMILESN#Cc1ccc2nc(C(F)(F)F)cc(C(F)(F)F)c2c1
InChIInChI=1S/C12H4F6N2/c13-11(14,15)8-4-10(12(16,17)18)20-9-2-1-6(5-19)3-7(8)9/h1-4H
InChIKeyFWKFJXYCFRORSJ-UHFFFAOYSA-N
XLogP4.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-6-(trifluoromethyl)phenanthridine-8-carbonitrile
CID 164678069
2-(trifluoromethyl)-1,3-benzothiazole-6-carbonitrile
CID 91882986
6-(trifluoromethyl)phenanthrene-3-carbonitrile
CID 623245
2,4-diaminoquinazoline-6-carbonitrile;quinazoline-2,4,6-triamine
CID 160928089
ethane;3-methyl-4-(trifluoromethyl)benzonitrile
CID 143320070
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116
4-(3-bromoprop-1-enyl)-3-(trifluoromethyl)benzonitrile
CID 169476302
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile
CID 135201677
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 115467723
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
4-(bromomethyl)-3-(trifluoromethyl)benzonitrile
CID 58827160

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile?
The IUPAC name of 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile (CID 164666836) is 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile.
What is the SMILES notation for 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile?
The canonical SMILES for 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile is N#Cc1ccc2nc(C(F)(F)F)cc(C(F)(F)F)c2c1.
What is the InChIKey of 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile?
The InChIKey is FWKFJXYCFRORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F6N2/c13-11(14,15)8-4-10(12(16,17)18)20-9-2-1-6(5-19)3-7(8)9/h1-4H.
What are the key properties of 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile?
2,4-bis(trifluoromethyl)quinoline-6-carbonitrile has a molecular weight of 290.17 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trifluoromethyl)quinoline-6-carbonitrile is sourced from PubChem (CID 164666836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).