4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline

C12H14F3N — CID 105486439

IUPAC4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H14F3N/c1-11(2)5-6-16-10-4-3-8(7-9(10)11)12(13,14)15/h3-4,7,16H,5-6H2,1-2H3
InChIKeyPSGIOVAIIONUSU-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.80
Rot. Bonds

About 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline

4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline (PubChem CID 105486439) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
PubChem CID105486439
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
SMILESCC1(C)CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H14F3N/c1-11(2)5-6-16-10-4-3-8(7-9(10)11)12(13,14)15/h3-4,7,16H,5-6H2,1-2H3
InChIKeyPSGIOVAIIONUSU-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline 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

6-[(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)sulfanyl]-4,4-dimethyl-2,3-dihydro-1H-quinoline
CID 170570820
4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carbonitrile;hydrochloride
CID 86767500
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
CID 71303219
N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine
CID 166138523
2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol
CID 117364454
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 23160669
3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one
CID 19066385
8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 71432328
4-methylidene-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 129083834
[2-(4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl)cyclohexyl]methanol
CID 23302925
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
5-tert-butyl-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701782

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The IUPAC name of 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline (CID 105486439) is 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The canonical SMILES for 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline is CC1(C)CCNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The InChIKey is PSGIOVAIIONUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-11(2)5-6-16-10-4-3-8(7-9(10)11)12(13,14)15/h3-4,7,16H,5-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline has a molecular weight of 229.25 g/mol, XLogP of 3.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 105486439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).