3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one

C11H11F3N2O2 — CID 60892934

IUPAC3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CC(F)(F)F)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C11H11F3N2O2/c1-16(5-11(12,13)14)6-2-3-7-8(4-6)15-10(18)9(7)17/h2-4,9,17H,5H2,1H3,(H,15,18)
InChIKeyNWHDMWPUCSEALF-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.67
Rot. Bonds2

About 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one

3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 60892934) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
PubChem CID60892934
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CC(F)(F)F)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C11H11F3N2O2/c1-16(5-11(12,13)14)6-2-3-7-8(4-6)15-10(18)9(7)17/h2-4,9,17H,5H2,1H3,(H,15,18)
InChIKeyNWHDMWPUCSEALF-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one (CID 60892934) is 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one is CN(CC(F)(F)F)c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is NWHDMWPUCSEALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-16(5-11(12,13)14)6-2-3-7-8(4-6)15-10(18)9(7)17/h2-4,9,17H,5H2,1H3,(H,15,18).
What are the key properties of 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one?
3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 260.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 60892934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).