2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone

C11H8F3NO — CID 96602952

IUPAC2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone
SMILESCc1cc2ccc(C(=O)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H8F3NO/c1-6-4-7-2-3-8(5-9(7)15-6)10(16)11(12,13)14/h2-5,15H,1H3
InChIKeyTWIBXGKPRBLHEB-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.22
Rot. Bonds1

About 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone

2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone (PubChem CID 96602952) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone
PubChem CID96602952
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone
SMILESCc1cc2ccc(C(=O)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C11H8F3NO/c1-6-4-7-2-3-8(5-9(7)15-6)10(16)11(12,13)14/h2-5,15H,1H3
InChIKeyTWIBXGKPRBLHEB-UHFFFAOYSA-N
XLogP3.22
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone (CID 96602952) is 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone is Cc1cc2ccc(C(=O)C(F)(F)F)cc2[nH]1.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone?
The InChIKey is TWIBXGKPRBLHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-6-4-7-2-3-8(5-9(7)15-6)10(16)11(12,13)14/h2-5,15H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone?
2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone has a molecular weight of 227.19 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methyl-1H-indol-6-yl)ethanone is sourced from PubChem (CID 96602952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).