6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one

C11H11F3N2O2 — CID 71611305

IUPAC6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
SMILESCN(C)c1ccc2c(c1)NC(=O)C2(O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c1-16(2)6-3-4-7-8(5-6)15-9(17)10(7,18)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
InChIKeyCNFDXLKVJVTWPA-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.45
Rot. Bonds1

About 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one

6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one (PubChem CID 71611305) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
PubChem CID71611305
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
SMILESCN(C)c1ccc2c(c1)NC(=O)C2(O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c1-16(2)6-3-4-7-8(5-6)15-9(17)10(7,18)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
InChIKeyCNFDXLKVJVTWPA-UHFFFAOYSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-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 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one (CID 71611305) is 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one is CN(C)c1ccc2c(c1)NC(=O)C2(O)C(F)(F)F.
What is the InChIKey of 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is CNFDXLKVJVTWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-16(2)6-3-4-7-8(5-6)15-9(17)10(7,18)11(12,13)14/h3-5,18H,1-2H3,(H,15,17).
What are the key properties of 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one?
6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 260.21 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 71611305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).