5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione

C11H8ClF3N2O2 — CID 79336228

IUPAC5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
SMILESCN(CC(F)(F)F)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C11H8ClF3N2O2/c1-17(4-11(13,14)15)8-3-7-5(2-6(8)12)9(18)10(19)16-7/h2-3H,4H2,1H3,(H,16,18,19)
InChIKeyDAQVVOBFQWSIRH-UHFFFAOYSA-N
MW292.64 g/mol
LogP2.47
Rot. Bonds2

About 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione

5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione (PubChem CID 79336228) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
PubChem CID79336228
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Name5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione
SMILESCN(CC(F)(F)F)c1cc2c(cc1Cl)C(=O)C(=O)N2
InChIInChI=1S/C11H8ClF3N2O2/c1-17(4-11(13,14)15)8-3-7-5(2-6(8)12)9(18)10(19)16-7/h2-3H,4H2,1H3,(H,16,18,19)
InChIKeyDAQVVOBFQWSIRH-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione (CID 79336228) is 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione is CN(CC(F)(F)F)c1cc2c(cc1Cl)C(=O)C(=O)N2.
What is the InChIKey of 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione?
The InChIKey is DAQVVOBFQWSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c1-17(4-11(13,14)15)8-3-7-5(2-6(8)12)9(18)10(19)16-7/h2-3H,4H2,1H3,(H,16,18,19).
What are the key properties of 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione?
5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione has a molecular weight of 292.64 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[methyl(2,2,2-trifluoroethyl)amino]-1H-indole-2,3-dione is sourced from PubChem (CID 79336228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).