5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one

C11H12FNO2S — CID 80758321

IUPAC5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESCC(C)Sc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C11H12FNO2S/c1-5(2)16-9-4-8-6(3-7(9)12)10(14)11(15)13-8/h3-5,10,14H,1-2H3,(H,13,15)
InChIKeyORQYBTBFEQGDIQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.31
Rot. Bonds2

About 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one (PubChem CID 80758321) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one
PubChem CID80758321
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one
SMILESCC(C)Sc1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C11H12FNO2S/c1-5(2)16-9-4-8-6(3-7(9)12)10(14)11(15)13-8/h3-5,10,14H,1-2H3,(H,13,15)
InChIKeyORQYBTBFEQGDIQ-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one (CID 80758321) is 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one is CC(C)Sc1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one?
The InChIKey is ORQYBTBFEQGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c1-5(2)16-9-4-8-6(3-7(9)12)10(14)11(15)13-8/h3-5,10,14H,1-2H3,(H,13,15).
What are the key properties of 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-propan-2-ylsulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).