3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C13H16F3N — CID 63386100

IUPAC3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CNc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C13H16F3N/c1-8(2)10-5-9-6-11(13(14,15)16)3-4-12(9)17-7-10/h3-4,6,8,10,17H,5,7H2,1-2H3
InChIKeyXUAVLHBJQNYFGJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.95
Rot. Bonds1

About 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 63386100) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID63386100
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CNc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C13H16F3N/c1-8(2)10-5-9-6-11(13(14,15)16)3-4-12(9)17-7-10/h3-4,6,8,10,17H,5,7H2,1-2H3
InChIKeyXUAVLHBJQNYFGJ-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline 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-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502366
3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline
CID 22735233
3,6-ditert-butyl-1,2,3,4-tetrahydroquinoline
CID 63386279
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
(5S)-5-propan-2-yl-2-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 170289723
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
3-propan-2-yl-8-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83218460
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986184
2-(2-methylsulfanylethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502367
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 63386100) is 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is CC(C)C1CNc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is XUAVLHBJQNYFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8(2)10-5-9-6-11(13(14,15)16)3-4-12(9)17-7-10/h3-4,6,8,10,17H,5,7H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 243.27 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).