1-ethyl-6-(trifluoromethyl)-3H-indol-2-one

C11H10F3NO — CID 117206073

IUPAC1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
SMILESCCN1C(=O)Cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H10F3NO/c1-2-15-9-6-8(11(12,13)14)4-3-7(9)5-10(15)16/h3-4,6H,2,5H2,1H3
InChIKeyROASBMGUEMSADC-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.61
Rot. Bonds1

About 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one

1-ethyl-6-(trifluoromethyl)-3H-indol-2-one (PubChem CID 117206073) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
PubChem CID117206073
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
SMILESCCN1C(=O)Cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H10F3NO/c1-2-15-9-6-8(11(12,13)14)4-3-7(9)5-10(15)16/h3-4,6H,2,5H2,1H3
InChIKeyROASBMGUEMSADC-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one (CID 117206073) is 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one is CCN1C(=O)Cc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is ROASBMGUEMSADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-2-15-9-6-8(11(12,13)14)4-3-7(9)5-10(15)16/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one?
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 229.20 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 117206073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).