1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone

C12H8F3NO2 — CID 2174852

IUPAC1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
SMILESCC(=O)n1cc(C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H8F3NO2/c1-7(17)16-6-9(11(18)12(13,14)15)8-4-2-3-5-10(8)16/h2-6H,1H3
InChIKeyQSYDYYVFVAIQIW-UHFFFAOYSA-N
MW255.19 g/mol
LogP3.05
Rot. Bonds1

About 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone

1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone (PubChem CID 2174852) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
PubChem CID2174852
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
SMILESCC(=O)n1cc(C(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H8F3NO2/c1-7(17)16-6-9(11(18)12(13,14)15)8-4-2-3-5-10(8)16/h2-6H,1H3
InChIKeyQSYDYYVFVAIQIW-UHFFFAOYSA-N
XLogP3.05
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N,N-diethylindole-3-carboxamide
CID 113207891
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755
1-[3-(azepane-1-carbonyl)indol-1-yl]ethanone
CID 113207907
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
1-acetyl-N-[3-(dimethylamino)propyl]indole-3-carboxamide
CID 113207837
2,2,2-trifluoro-1-[7-methyl-1-(2,2,2-trifluoroacetyl)indol-3-yl]ethanone
CID 91738874
1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
CID 175153955

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone (CID 2174852) is 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone is CC(=O)n1cc(C(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is QSYDYYVFVAIQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c1-7(17)16-6-9(11(18)12(13,14)15)8-4-2-3-5-10(8)16/h2-6H,1H3.
What are the key properties of 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone?
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 255.19 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 2174852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).