2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone

C12H7F6NO — CID 86664378

IUPAC2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone
SMILESCn1cc(C(=O)C(F)(F)F)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H7F6NO/c1-19-5-8(10(20)12(16,17)18)7-3-2-6(4-9(7)19)11(13,14)15/h2-5H,1H3
InChIKeyFHTNTNOJYHZMLR-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.94
Rot. Bonds1

About 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone

2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone (PubChem CID 86664378) has the molecular formula C12H7F6NO and a molecular weight of 295.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone
PubChem CID86664378
Molecular FormulaC12H7F6NO
Molecular Weight295.18 g/mol
Exact Mass295.04
IUPAC Name2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone
SMILESCn1cc(C(=O)C(F)(F)F)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H7F6NO/c1-19-5-8(10(20)12(16,17)18)7-3-2-6(4-9(7)19)11(13,14)15/h2-5H,1H3
InChIKeyFHTNTNOJYHZMLR-UHFFFAOYSA-N
XLogP3.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(1-methyl-6-nitroindol-3-yl)ethanone
CID 59335033
2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride
CID 175473195
N-(5-cyano-1-methylindol-3-yl)-1-methyl-6-(trifluoromethyl)indole-3-carboxamide
CID 170653150
2-fluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]propanal
CID 174647556
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
CID 105485238
2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117122078
1-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 117122110
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
1-(6-fluoro-1-methylindol-3-yl)ethanone
CID 16751568
1-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 87442017
1,3-dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
CID 81430473
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone (CID 86664378) is 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone is Cn1cc(C(=O)C(F)(F)F)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone?
The InChIKey is FHTNTNOJYHZMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6NO/c1-19-5-8(10(20)12(16,17)18)7-3-2-6(4-9(7)19)11(13,14)15/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone?
2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone has a molecular weight of 295.18 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone is sourced from PubChem (CID 86664378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).