5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one

C8H5F2NO2 — CID 61361646

IUPAC5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)c(F)cc2C1O
InChIInChI=1S/C8H5F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2,7,12H,(H,11,13)
InChIKeyALPFMOVKCKJATL-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.95
Rot. Bonds

About 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one

5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 61361646) has the molecular formula C8H5F2NO2 and a molecular weight of 185.13 g/mol. Its IUPAC name is 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID61361646
Molecular FormulaC8H5F2NO2
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)c(F)cc2C1O
InChIInChI=1S/C8H5F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2,7,12H,(H,11,13)
InChIKeyALPFMOVKCKJATL-UHFFFAOYSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 61361646) is 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(F)c(F)cc2C1O.
What is the InChIKey of 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is ALPFMOVKCKJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2,7,12H,(H,11,13).
What are the key properties of 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one?
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 185.13 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 61361646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).