1-(trifluoromethylsulfonyl)-2,3-dihydroindole

C9H8F3NO2S — CID 67042685

IUPAC1-(trifluoromethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1CCc2ccccc21)C(F)(F)F
InChIInChI=1S/C9H8F3NO2S/c10-9(11,12)16(14,15)13-6-5-7-3-1-2-4-8(7)13/h1-4H,5-6H2
InChIKeyWCMUUBHZQUPMAN-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.90
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)-2,3-dihydroindole

1-(trifluoromethylsulfonyl)-2,3-dihydroindole (PubChem CID 67042685) has the molecular formula C9H8F3NO2S and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)-2,3-dihydroindole
PubChem CID67042685
Molecular FormulaC9H8F3NO2S
Molecular Weight251.23 g/mol
Exact Mass251.02
IUPAC Name1-(trifluoromethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1CCc2ccccc21)C(F)(F)F
InChIInChI=1S/C9H8F3NO2S/c10-9(11,12)16(14,15)13-6-5-7-3-1-2-4-8(7)13/h1-4H,5-6H2
InChIKeyWCMUUBHZQUPMAN-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The IUPAC name of 1-(trifluoromethylsulfonyl)-2,3-dihydroindole (CID 67042685) is 1-(trifluoromethylsulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The canonical SMILES for 1-(trifluoromethylsulfonyl)-2,3-dihydroindole is O=S(=O)(N1CCc2ccccc21)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The InChIKey is WCMUUBHZQUPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S/c10-9(11,12)16(14,15)13-6-5-7-3-1-2-4-8(7)13/h1-4H,5-6H2.
What are the key properties of 1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
1-(trifluoromethylsulfonyl)-2,3-dihydroindole has a molecular weight of 251.23 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 67042685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).