3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole

C13H16F3N — CID 155258766

IUPAC3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole
SMILESCCC1C(C)=NC2=C1C(C)CC(C(F)(F)F)=C2
InChIInChI=1S/C13H16F3N/c1-4-10-8(3)17-11-6-9(13(14,15)16)5-7(2)12(10)11/h6-7,10H,4-5H2,1-3H3
InChIKeyVLCZUZBXGGPULM-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.27
Rot. Bonds1

About 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole

3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole (PubChem CID 155258766) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole
PubChem CID155258766
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole
SMILESCCC1C(C)=NC2=C1C(C)CC(C(F)(F)F)=C2
InChIInChI=1S/C13H16F3N/c1-4-10-8(3)17-11-6-9(13(14,15)16)5-7(2)12(10)11/h6-7,10H,4-5H2,1-3H3
InChIKeyVLCZUZBXGGPULM-UHFFFAOYSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,6-trimethyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 162580612
(3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole
CID 162619413
3-(1,1-difluoroethyl)-5-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 162616932
1-ethyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 89161594
2-carbamimidamido-N'-[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethanimidamide
CID 176538593
N-[(1R)-1-[3-ethyl-4-methyl-6-(trifluoromethyl)-4,5-dihydrobenzimidazol-2-yl]-2-hydroxy-2-methylpropyl]-5-methylpyrazine-2-carboxamide
CID 171534929
2-[(1S)-5-methoxy-3-(trifluoromethyl)cyclohepta-3,5-dien-1-yl]-N,N-dimethylethanamine
CID 167080864
2,6-dibromo-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 163537804
6-butyl-4-(trifluoromethyl)-2,3-dihydropyridine
CID 174904968
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 162547074
2-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonitrile
CID 162553284
1-methylcyclopropene;1-(trifluoromethyl)cyclopropene
CID 159098895

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole?
The IUPAC name of 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole (CID 155258766) is 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole.
What is the SMILES notation for 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole?
The canonical SMILES for 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole is CCC1C(C)=NC2=C1C(C)CC(C(F)(F)F)=C2.
What is the InChIKey of 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole?
The InChIKey is VLCZUZBXGGPULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-4-10-8(3)17-11-6-9(13(14,15)16)5-7(2)12(10)11/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole?
3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole has a molecular weight of 243.27 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethyl-6-(trifluoromethyl)-4,5-dihydro-3H-indole is sourced from PubChem (CID 155258766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).