5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one

C12H12ClF3N2O2 — CID 103207165

IUPAC5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(COCC(F)(F)F)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H12ClF3N2O2/c13-8-3-10-6(2-11(19)18-10)1-7(8)9(17)4-20-5-12(14,15)16/h1,3,9H,2,4-5,17H2,(H,18,19)
InChIKeyNPPHCLWJURHILT-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.41
Rot. Bonds4

About 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one

5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 103207165) has the molecular formula C12H12ClF3N2O2 and a molecular weight of 308.69 g/mol. Its IUPAC name is 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID103207165
Molecular FormulaC12H12ClF3N2O2
Molecular Weight308.69 g/mol
Exact Mass308.05
IUPAC Name5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESNC(COCC(F)(F)F)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C12H12ClF3N2O2/c13-8-3-10-6(2-11(19)18-10)1-7(8)9(17)4-20-5-12(14,15)16/h1,3,9H,2,4-5,17H2,(H,18,19)
InChIKeyNPPHCLWJURHILT-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one (CID 103207165) is 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one is NC(COCC(F)(F)F)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is NPPHCLWJURHILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O2/c13-8-3-10-6(2-11(19)18-10)1-7(8)9(17)4-20-5-12(14,15)16/h1,3,9H,2,4-5,17H2,(H,18,19).
What are the key properties of 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one?
5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 308.69 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(2,2,2-trifluoroethoxy)ethyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 103207165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).