1-acetyl-5-(trifluoromethyl)-3H-indol-2-one

C11H8F3NO2 — CID 58031721

IUPAC1-acetyl-5-(trifluoromethyl)-3H-indol-2-one
SMILESCC(=O)N1C(=O)Cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H8F3NO2/c1-6(16)15-9-3-2-8(11(12,13)14)4-7(9)5-10(15)17/h2-4H,5H2,1H3
InChIKeyQNJFIXRJANCEQK-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.14
Rot. Bonds

About 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one

1-acetyl-5-(trifluoromethyl)-3H-indol-2-one (PubChem CID 58031721) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-acetyl-5-(trifluoromethyl)-3H-indol-2-one
PubChem CID58031721
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name1-acetyl-5-(trifluoromethyl)-3H-indol-2-one
SMILESCC(=O)N1C(=O)Cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H8F3NO2/c1-6(16)15-9-3-2-8(11(12,13)14)4-7(9)5-10(15)17/h2-4H,5H2,1H3
InChIKeyQNJFIXRJANCEQK-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-diacetyl-3,5-dihydropyrrolo[3,2-f]indole-2,6-dione
CID 2749631
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-hydroxy-6-(trifluoromethyl)-3H-indol-2-one
CID 26986199
1-acetyl-2-oxo-3H-indole-6-carbaldehyde
CID 126542677
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073
ethyl 1-acetyl-2-oxo-3H-indole-6-carboxylate
CID 145183104
1-propan-2-yl-5-(trifluoromethyl)-3H-indole-2-thione
CID 158280479
N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide
CID 18570780
tert-butyl 5-hydroxy-2-oxo-3H-indole-1-carboxylate
CID 155928671
1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 97226753
1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone
CID 170632621
1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
CID 66794059

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one?
The IUPAC name of 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one (CID 58031721) is 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one.
What is the SMILES notation for 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one?
The canonical SMILES for 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one is CC(=O)N1C(=O)Cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one?
The InChIKey is QNJFIXRJANCEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-6(16)15-9-3-2-8(11(12,13)14)4-7(9)5-10(15)17/h2-4H,5H2,1H3.
What are the key properties of 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one?
1-acetyl-5-(trifluoromethyl)-3H-indol-2-one has a molecular weight of 243.18 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(trifluoromethyl)-3H-indol-2-one is sourced from PubChem (CID 58031721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).