3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one

C15H18F3NO — CID 106702215

IUPAC3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one
SMILESCCCCC1(CC)C(=O)Nc2c(C(F)(F)F)cccc21
InChIInChI=1S/C15H18F3NO/c1-3-5-9-14(4-2)10-7-6-8-11(15(16,17)18)12(10)19-13(14)20/h6-8H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyLEWDXLIYRBCBEQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.50
Rot. Bonds4

About 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one

3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one (PubChem CID 106702215) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one
PubChem CID106702215
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one
SMILESCCCCC1(CC)C(=O)Nc2c(C(F)(F)F)cccc21
InChIInChI=1S/C15H18F3NO/c1-3-5-9-14(4-2)10-7-6-8-11(15(16,17)18)12(10)19-13(14)20/h6-8H,3-5,9H2,1-2H3,(H,19,20)
InChIKeyLEWDXLIYRBCBEQ-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one (CID 106702215) is 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one is CCCCC1(CC)C(=O)Nc2c(C(F)(F)F)cccc21.
What is the InChIKey of 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is LEWDXLIYRBCBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-3-5-9-14(4-2)10-7-6-8-11(15(16,17)18)12(10)19-13(14)20/h6-8H,3-5,9H2,1-2H3,(H,19,20).
What are the key properties of 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one?
3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 285.31 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 106702215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).