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

C12H13F3N2O2 — CID 55010486

IUPAC6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(CC(F)(F)F)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C12H13F3N2O2/c1-2-17(6-12(13,14)15)7-3-4-8-9(5-7)16-11(19)10(8)18/h3-5,10,18H,2,6H2,1H3,(H,16,19)
InChIKeyFVHZRYNFNYZGPZ-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.06
Rot. Bonds3

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

6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 55010486) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID55010486
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(CC(F)(F)F)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C12H13F3N2O2/c1-2-17(6-12(13,14)15)7-3-4-8-9(5-7)16-11(19)10(8)18/h3-5,10,18H,2,6H2,1H3,(H,16,19)
InChIKeyFVHZRYNFNYZGPZ-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.06
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 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (CID 55010486) is 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is CCN(CC(F)(F)F)c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is FVHZRYNFNYZGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-2-17(6-12(13,14)15)7-3-4-8-9(5-7)16-11(19)10(8)18/h3-5,10,18H,2,6H2,1H3,(H,16,19).
What are the key properties of 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 274.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 55010486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).