5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole

C11H11F4NO2S — CID 11243436

IUPAC5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole
SMILESCS(=O)(=O)N1CC(CC(F)(F)F)c2cc(F)ccc21
InChIInChI=1S/C11H11F4NO2S/c1-19(17,18)16-6-7(5-11(13,14)15)9-4-8(12)2-3-10(9)16/h2-4,7H,5-6H2,1H3
InChIKeyXMRIKVOXXWQKBY-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.64
Rot. Bonds2

About 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole

5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole (PubChem CID 11243436) has the molecular formula C11H11F4NO2S and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole
PubChem CID11243436
Molecular FormulaC11H11F4NO2S
Molecular Weight297.27 g/mol
Exact Mass297.04
IUPAC Name5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole
SMILESCS(=O)(=O)N1CC(CC(F)(F)F)c2cc(F)ccc21
InChIInChI=1S/C11H11F4NO2S/c1-19(17,18)16-6-7(5-11(13,14)15)9-4-8(12)2-3-10(9)16/h2-4,7H,5-6H2,1H3
InChIKeyXMRIKVOXXWQKBY-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole?
The IUPAC name of 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole (CID 11243436) is 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole.
What is the SMILES notation for 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole?
The canonical SMILES for 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole is CS(=O)(=O)N1CC(CC(F)(F)F)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole?
The InChIKey is XMRIKVOXXWQKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2S/c1-19(17,18)16-6-7(5-11(13,14)15)9-4-8(12)2-3-10(9)16/h2-4,7H,5-6H2,1H3.
What are the key properties of 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole?
5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole has a molecular weight of 297.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylsulfonyl-3-(2,2,2-trifluoroethyl)-2,3-dihydroindole is sourced from PubChem (CID 11243436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).