3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one

C10H9F3N2O2 — CID 55182985

IUPAC3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(OCC(F)(F)F)ccc21
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)4-17-5-1-2-6-7(3-5)15-9(16)8(6)14/h1-3,8H,4,14H2,(H,15,16)
InChIKeySBIRZQSCKDZBJB-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.58
Rot. Bonds2

About 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one

3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one (PubChem CID 55182985) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
PubChem CID55182985
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one
SMILESNC1C(=O)Nc2cc(OCC(F)(F)F)ccc21
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)4-17-5-1-2-6-7(3-5)15-9(16)8(6)14/h1-3,8H,4,14H2,(H,15,16)
InChIKeySBIRZQSCKDZBJB-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one (CID 55182985) is 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one is NC1C(=O)Nc2cc(OCC(F)(F)F)ccc21.
What is the InChIKey of 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
The InChIKey is SBIRZQSCKDZBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)4-17-5-1-2-6-7(3-5)15-9(16)8(6)14/h1-3,8H,4,14H2,(H,15,16).
What are the key properties of 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one?
3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one has a molecular weight of 246.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,2,2-trifluoroethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 55182985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).