3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one

C13H14F3NO2 — CID 102103914

IUPAC3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
SMILESCOCC1(CC(F)(F)F)C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H14F3NO2/c1-17-10-6-4-3-5-9(10)12(8-19-2,11(17)18)7-13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyNUCNEMAIHFLRJI-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.50
Rot. Bonds3

About 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one

3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one (PubChem CID 102103914) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
PubChem CID102103914
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one
SMILESCOCC1(CC(F)(F)F)C(=O)N(C)c2ccccc21
InChIInChI=1S/C13H14F3NO2/c1-17-10-6-4-3-5-9(10)12(8-19-2,11(17)18)7-13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyNUCNEMAIHFLRJI-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one 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 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The IUPAC name of 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one (CID 102103914) is 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one is COCC1(CC(F)(F)F)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one?
The InChIKey is NUCNEMAIHFLRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-17-10-6-4-3-5-9(10)12(8-19-2,11(17)18)7-13(14,15)16/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one?
3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one has a molecular weight of 273.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one is sourced from PubChem (CID 102103914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).