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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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).