3-ethyl-1-methoxy-5-(trifluoromethyl)indole

C12H12F3NO — CID 122488025

IUPAC3-ethyl-1-methoxy-5-(trifluoromethyl)indole
SMILESCCc1cn(OC)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H12F3NO/c1-3-8-7-16(17-2)11-5-4-9(6-10(8)11)12(13,14)15/h4-7H,3H2,1-2H3
InChIKeyAQPWTARSTTURTF-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.28
Rot. Bonds2

About 3-ethyl-1-methoxy-5-(trifluoromethyl)indole

3-ethyl-1-methoxy-5-(trifluoromethyl)indole (PubChem CID 122488025) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name3-ethyl-1-methoxy-5-(trifluoromethyl)indole
PubChem CID122488025
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3-ethyl-1-methoxy-5-(trifluoromethyl)indole
SMILESCCc1cn(OC)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H12F3NO/c1-3-8-7-16(17-2)11-5-4-9(6-10(8)11)12(13,14)15/h4-7H,3H2,1-2H3
InChIKeyAQPWTARSTTURTF-UHFFFAOYSA-N
XLogP3.28
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-methoxy-5-(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

2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol
CID 117120930
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
CID 117120932
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
4-ethyl-6-(trifluoromethyl)quinoline
CID 123745234
tert-butyl 3-(chloromethyl)-5-(trifluoromethyl)indole-1-carboxylate
CID 118084213
methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate
CID 54267084
2-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]acetaldehyde
CID 117195454
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine
CID 117195467
N-[3-ethyl-5-(trifluoromethyl)indol-1-yl]-4-methyl-2-pyrimidin-2-ylpyrimidine-5-carboxamide
CID 59199982
3-ethyl-2-methyl-6-(trifluoromethyl)indazole
CID 59514322
2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117120935
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxy-5-(trifluoromethyl)indole?
The IUPAC name of 3-ethyl-1-methoxy-5-(trifluoromethyl)indole (CID 122488025) is 3-ethyl-1-methoxy-5-(trifluoromethyl)indole.
What is the SMILES notation for 3-ethyl-1-methoxy-5-(trifluoromethyl)indole?
The canonical SMILES for 3-ethyl-1-methoxy-5-(trifluoromethyl)indole is CCc1cn(OC)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 3-ethyl-1-methoxy-5-(trifluoromethyl)indole?
The InChIKey is AQPWTARSTTURTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-3-8-7-16(17-2)11-5-4-9(6-10(8)11)12(13,14)15/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methoxy-5-(trifluoromethyl)indole?
3-ethyl-1-methoxy-5-(trifluoromethyl)indole has a molecular weight of 243.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-5-(trifluoromethyl)indole is sourced from PubChem (CID 122488025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).