5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one

C10H10FNO3S — CID 80758065

IUPAC5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(SCCO)c(F)cc2C1O
InChIInChI=1S/C10H10FNO3S/c11-6-3-5-7(12-10(15)9(5)14)4-8(6)16-2-1-13/h3-4,9,13-14H,1-2H2,(H,12,15)
InChIKeyRCUQJYWMPFMZDS-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.90
Rot. Bonds3

About 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one (PubChem CID 80758065) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one
PubChem CID80758065
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Name5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(SCCO)c(F)cc2C1O
InChIInChI=1S/C10H10FNO3S/c11-6-3-5-7(12-10(15)9(5)14)4-8(6)16-2-1-13/h3-4,9,13-14H,1-2H2,(H,12,15)
InChIKeyRCUQJYWMPFMZDS-UHFFFAOYSA-N
XLogP0.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one (CID 80758065) is 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one is O=C1Nc2cc(SCCO)c(F)cc2C1O.
What is the InChIKey of 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one?
The InChIKey is RCUQJYWMPFMZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3S/c11-6-3-5-7(12-10(15)9(5)14)4-8(6)16-2-1-13/h3-4,9,13-14H,1-2H2,(H,12,15).
What are the key properties of 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one has a molecular weight of 243.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-(2-hydroxyethylsulfanyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).