4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole

C9H7F3INO2S — CID 102474261

IUPAC4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1CCc2c(I)cccc21)C(F)(F)F
InChIInChI=1S/C9H7F3INO2S/c10-9(11,12)17(15,16)14-5-4-6-7(13)2-1-3-8(6)14/h1-3H,4-5H2
InChIKeyFFPUXYXAPIUVNB-UHFFFAOYSA-N
MW377.13 g/mol
LogP2.50
Rot. Bonds1

About 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole

4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole (PubChem CID 102474261) has the molecular formula C9H7F3INO2S and a molecular weight of 377.13 g/mol. Its IUPAC name is 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole.

Molecular Properties

Compound Name4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
PubChem CID102474261
Molecular FormulaC9H7F3INO2S
Molecular Weight377.13 g/mol
Exact Mass376.92
IUPAC Name4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
SMILESO=S(=O)(N1CCc2c(I)cccc21)C(F)(F)F
InChIInChI=1S/C9H7F3INO2S/c10-9(11,12)17(15,16)14-5-4-6-7(13)2-1-3-8(6)14/h1-3H,4-5H2
InChIKeyFFPUXYXAPIUVNB-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.13
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The IUPAC name of 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole (CID 102474261) is 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole.
What is the SMILES notation for 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The canonical SMILES for 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole is O=S(=O)(N1CCc2c(I)cccc21)C(F)(F)F.
What is the InChIKey of 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
The InChIKey is FFPUXYXAPIUVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO2S/c10-9(11,12)17(15,16)14-5-4-6-7(13)2-1-3-8(6)14/h1-3H,4-5H2.
What are the key properties of 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole?
4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole has a molecular weight of 377.13 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(trifluoromethylsulfonyl)-2,3-dihydroindole is sourced from PubChem (CID 102474261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).