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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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).