4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one

C8H5F2NO2 — CID 61361227

IUPAC4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)cc(F)c2C1O
InChIInChI=1S/C8H5F2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2,7,12H,(H,11,13)
InChIKeyWPSXBOGKXBYZIU-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.95
Rot. Bonds

About 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one

4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 61361227) has the molecular formula C8H5F2NO2 and a molecular weight of 185.13 g/mol. Its IUPAC name is 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID61361227
Molecular FormulaC8H5F2NO2
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)cc(F)c2C1O
InChIInChI=1S/C8H5F2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2,7,12H,(H,11,13)
InChIKeyWPSXBOGKXBYZIU-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 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 61361227) is 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(F)cc(F)c2C1O.
What is the InChIKey of 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is WPSXBOGKXBYZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2,7,12H,(H,11,13).
What are the key properties of 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one?
4,6-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 4,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 61361227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).