2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline

C19H24F3N — CID 140769903

IUPAC2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline
SMILESCC(C)(C)C(c1ccc2cccc(C(F)(F)F)c2n1)C(C)(C)C
InChIInChI=1S/C19H24F3N/c1-17(2,3)16(18(4,5)6)14-11-10-12-8-7-9-13(15(12)23-14)19(20,21)22/h7-11,16H,1-6H3
InChIKeyDDOPMBPGCKLRGR-UHFFFAOYSA-N
MW323.40 g/mol
LogP6.43
Rot. Bonds1

About 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline

2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline (PubChem CID 140769903) has the molecular formula C19H24F3N and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline
PubChem CID140769903
Molecular FormulaC19H24F3N
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline
SMILESCC(C)(C)C(c1ccc2cccc(C(F)(F)F)c2n1)C(C)(C)C
InChIInChI=1S/C19H24F3N/c1-17(2,3)16(18(4,5)6)14-11-10-12-8-7-9-13(15(12)23-14)19(20,21)22/h7-11,16H,1-6H3
InChIKeyDDOPMBPGCKLRGR-UHFFFAOYSA-N
XLogP6.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,2,4,4-tetramethylpentan-3-yl)-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 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline (CID 140769903) is 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline is CC(C)(C)C(c1ccc2cccc(C(F)(F)F)c2n1)C(C)(C)C.
What is the InChIKey of 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline?
The InChIKey is DDOPMBPGCKLRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N/c1-17(2,3)16(18(4,5)6)14-11-10-12-8-7-9-13(15(12)23-14)19(20,21)22/h7-11,16H,1-6H3.
What are the key properties of 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline?
2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline has a molecular weight of 323.40 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4,4-tetramethylpentan-3-yl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 140769903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).