5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one

C12H13F3N2O — CID 115258033

IUPAC5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2CC(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)7-17-10-2-1-8(3-4-16)5-9(10)6-11(17)18/h1-2,5H,3-4,6-7,16H2
InChIKeyQQKNCTDFVCYHTQ-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.64
Rot. Bonds3

About 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one

5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one (PubChem CID 115258033) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one
PubChem CID115258033
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2CC(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)7-17-10-2-1-8(3-4-16)5-9(10)6-11(17)18/h1-2,5H,3-4,6-7,16H2
InChIKeyQQKNCTDFVCYHTQ-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one (CID 115258033) is 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one is NCCc1ccc2c(c1)CC(=O)N2CC(F)(F)F.
What is the InChIKey of 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one?
The InChIKey is QQKNCTDFVCYHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)7-17-10-2-1-8(3-4-16)5-9(10)6-11(17)18/h1-2,5H,3-4,6-7,16H2.
What are the key properties of 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one?
5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one has a molecular weight of 258.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one is sourced from PubChem (CID 115258033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).