3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one

C12H12F3NO2 — CID 106702156

IUPAC3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one
SMILESCCC1(C)C(=O)Nc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C12H12F3NO2/c1-3-11(2)7-5-4-6-8(18-12(13,14)15)9(7)16-10(11)17/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyYLHHAPXIGPBGGK-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.20
Rot. Bonds2

About 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one

3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one (PubChem CID 106702156) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one
PubChem CID106702156
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one
SMILESCCC1(C)C(=O)Nc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C12H12F3NO2/c1-3-11(2)7-5-4-6-8(18-12(13,14)15)9(7)16-10(11)17/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyYLHHAPXIGPBGGK-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one?
The IUPAC name of 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one (CID 106702156) is 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one.
What is the SMILES notation for 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one?
The canonical SMILES for 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one is CCC1(C)C(=O)Nc2c(OC(F)(F)F)cccc21.
What is the InChIKey of 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one?
The InChIKey is YLHHAPXIGPBGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-3-11(2)7-5-4-6-8(18-12(13,14)15)9(7)16-10(11)17/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one?
3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one has a molecular weight of 259.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-7-(trifluoromethoxy)-1H-indol-2-one is sourced from PubChem (CID 106702156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).