5-ethyl-1-methyl-2-(trifluoromethyl)indole

C12H12F3N — CID 84625236

IUPAC5-ethyl-1-methyl-2-(trifluoromethyl)indole
SMILESCCc1ccc2c(c1)cc(C(F)(F)F)n2C
InChIInChI=1S/C12H12F3N/c1-3-8-4-5-10-9(6-8)7-11(16(10)2)12(13,14)15/h4-7H,3H2,1-2H3
InChIKeyCTWXDBVXWBWUBC-UHFFFAOYSA-N
MW227.23 g/mol
LogP3.76
Rot. Bonds1

About 5-ethyl-1-methyl-2-(trifluoromethyl)indole

5-ethyl-1-methyl-2-(trifluoromethyl)indole (PubChem CID 84625236) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-(trifluoromethyl)indole.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-(trifluoromethyl)indole
PubChem CID84625236
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name5-ethyl-1-methyl-2-(trifluoromethyl)indole
SMILESCCc1ccc2c(c1)cc(C(F)(F)F)n2C
InChIInChI=1S/C12H12F3N/c1-3-8-4-5-10-9(6-8)7-11(16(10)2)12(13,14)15/h4-7H,3H2,1-2H3
InChIKeyCTWXDBVXWBWUBC-UHFFFAOYSA-N
XLogP3.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-1-methyl-2-(trifluoromethyl)indole 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

5-ethoxy-1-methyl-2-(trifluoromethyl)indole
CID 84630699
[5-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635897
5-isocyano-1-methyl-2-(trifluoromethyl)indole;5-isocyano-2-(trifluoromethyl)-1H-indole;methane;[1-methyl-2-(trifluoromethyl)indol-5-yl]methanamine;triiodovanadium
CID 159248378
5-ethyl-1-pyridin-4-ylindole
CID 70962966
2,6-diethyl-1-methylindole
CID 118283612
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide
CID 173096782
2-(1,2-dimethylindol-5-yl)-6-ethylisoindol-1-ol
CID 91249384
5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole
CID 143783539
2-bromo-6-ethyl-1-methylindole
CID 84700583
2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine
CID 84631643
5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol
CID 141006788

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2-(trifluoromethyl)indole?
The IUPAC name of 5-ethyl-1-methyl-2-(trifluoromethyl)indole (CID 84625236) is 5-ethyl-1-methyl-2-(trifluoromethyl)indole.
What is the SMILES notation for 5-ethyl-1-methyl-2-(trifluoromethyl)indole?
The canonical SMILES for 5-ethyl-1-methyl-2-(trifluoromethyl)indole is CCc1ccc2c(c1)cc(C(F)(F)F)n2C.
What is the InChIKey of 5-ethyl-1-methyl-2-(trifluoromethyl)indole?
The InChIKey is CTWXDBVXWBWUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N/c1-3-8-4-5-10-9(6-8)7-11(16(10)2)12(13,14)15/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-2-(trifluoromethyl)indole?
5-ethyl-1-methyl-2-(trifluoromethyl)indole has a molecular weight of 227.23 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2-(trifluoromethyl)indole is sourced from PubChem (CID 84625236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).