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

C8H5F2NO — CID 175758508

IUPAC5,6-difluoro-1,2-dihydroindol-3-one
SMILESO=C1CNc2cc(F)c(F)cc21
InChIInChI=1S/C8H5F2NO/c9-5-1-4-7(2-6(5)10)11-3-8(4)12/h1-2,11H,3H2
InChIKeyLQKCEJGIFVETAT-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.57
Rot. Bonds

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

5,6-difluoro-1,2-dihydroindol-3-one (PubChem CID 175758508) has the molecular formula C8H5F2NO and a molecular weight of 169.13 g/mol. Its IUPAC name is 5,6-difluoro-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name5,6-difluoro-1,2-dihydroindol-3-one
PubChem CID175758508
Molecular FormulaC8H5F2NO
Molecular Weight169.13 g/mol
Exact Mass169.03
IUPAC Name5,6-difluoro-1,2-dihydroindol-3-one
SMILESO=C1CNc2cc(F)c(F)cc21
InChIInChI=1S/C8H5F2NO/c9-5-1-4-7(2-6(5)10)11-3-8(4)12/h1-2,11H,3H2
InChIKeyLQKCEJGIFVETAT-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1,2-dihydroindol-3-one?
The IUPAC name of 5,6-difluoro-1,2-dihydroindol-3-one (CID 175758508) is 5,6-difluoro-1,2-dihydroindol-3-one.
What is the SMILES notation for 5,6-difluoro-1,2-dihydroindol-3-one?
The canonical SMILES for 5,6-difluoro-1,2-dihydroindol-3-one is O=C1CNc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1,2-dihydroindol-3-one?
The InChIKey is LQKCEJGIFVETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO/c9-5-1-4-7(2-6(5)10)11-3-8(4)12/h1-2,11H,3H2.
What are the key properties of 5,6-difluoro-1,2-dihydroindol-3-one?
5,6-difluoro-1,2-dihydroindol-3-one has a molecular weight of 169.13 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1,2-dihydroindol-3-one is sourced from PubChem (CID 175758508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).