1,2-dimethyl-3-(trifluoromethylsulfonyl)indole

C11H10F3NO2S — CID 71715573

IUPAC1,2-dimethyl-3-(trifluoromethylsulfonyl)indole
SMILESCc1c(S(=O)(=O)C(F)(F)F)c2ccccc2n1C
InChIInChI=1S/C11H10F3NO2S/c1-7-10(18(16,17)11(12,13)14)8-5-3-4-6-9(8)15(7)2/h3-6H,1-2H3
InChIKeyQQGJDFDJAPWYRP-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.78
Rot. Bonds1

About 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole

1,2-dimethyl-3-(trifluoromethylsulfonyl)indole (PubChem CID 71715573) has the molecular formula C11H10F3NO2S and a molecular weight of 277.27 g/mol. Its IUPAC name is 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole.

Molecular Properties

Compound Name1,2-dimethyl-3-(trifluoromethylsulfonyl)indole
PubChem CID71715573
Molecular FormulaC11H10F3NO2S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name1,2-dimethyl-3-(trifluoromethylsulfonyl)indole
SMILESCc1c(S(=O)(=O)C(F)(F)F)c2ccccc2n1C
InChIInChI=1S/C11H10F3NO2S/c1-7-10(18(16,17)11(12,13)14)8-5-3-4-6-9(8)15(7)2/h3-6H,1-2H3
InChIKeyQQGJDFDJAPWYRP-UHFFFAOYSA-N
XLogP2.78
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole?
The IUPAC name of 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole (CID 71715573) is 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole.
What is the SMILES notation for 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole?
The canonical SMILES for 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole is Cc1c(S(=O)(=O)C(F)(F)F)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole?
The InChIKey is QQGJDFDJAPWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2S/c1-7-10(18(16,17)11(12,13)14)8-5-3-4-6-9(8)15(7)2/h3-6H,1-2H3.
What are the key properties of 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole?
1,2-dimethyl-3-(trifluoromethylsulfonyl)indole has a molecular weight of 277.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(trifluoromethylsulfonyl)indole is sourced from PubChem (CID 71715573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).