2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone

C13H7F6NO2 — CID 91738874

IUPAC2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone
SMILESCc1cccc2c(C(=O)C(F)(F)F)cn(C(=O)C(F)(F)F)c12
InChIInChI=1S/C13H7F6NO2/c1-6-3-2-4-7-8(10(21)12(14,15)16)5-20(9(6)7)11(22)13(17,18)19/h2-5H,1H3
InChIKeyHVAUXQMVMDHVSU-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.90
Rot. Bonds1

About 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone

2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone (PubChem CID 91738874) has the molecular formula C13H7F6NO2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone
PubChem CID91738874
Molecular FormulaC13H7F6NO2
Molecular Weight323.19 g/mol
Exact Mass323.04
IUPAC Name2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone
SMILESCc1cccc2c(C(=O)C(F)(F)F)cn(C(=O)C(F)(F)F)c12
InChIInChI=1S/C13H7F6NO2/c1-6-3-2-4-7-8(10(21)12(14,15)16)5-20(9(6)7)11(22)13(17,18)19/h2-5H,1H3
InChIKeyHVAUXQMVMDHVSU-UHFFFAOYSA-N
XLogP3.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone (CID 91738874) is 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone is Cc1cccc2c(C(=O)C(F)(F)F)cn(C(=O)C(F)(F)F)c12.
What is the InChIKey of 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone?
The InChIKey is HVAUXQMVMDHVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO2/c1-6-3-2-4-7-8(10(21)12(14,15)16)5-20(9(6)7)11(22)13(17,18)19/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone?
2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone has a molecular weight of 323.19 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone is sourced from PubChem (CID 91738874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).