2,4-difluoroindol-3-one

C8H3F2NO — CID 175017344

IUPAC2,4-difluoroindol-3-one
SMILESO=C1C(F)=Nc2cccc(F)c21
InChIInChI=1S/C8H3F2NO/c9-4-2-1-3-5-6(4)7(12)8(10)11-5/h1-3H
InChIKeyMJPFEOCWRYHJHY-UHFFFAOYSA-N
MW167.11 g/mol
LogP2.02
Rot. Bonds

About 2,4-difluoroindol-3-one

2,4-difluoroindol-3-one (PubChem CID 175017344) has the molecular formula C8H3F2NO and a molecular weight of 167.11 g/mol. Its IUPAC name is 2,4-difluoroindol-3-one.

Molecular Properties

Compound Name2,4-difluoroindol-3-one
PubChem CID175017344
Molecular FormulaC8H3F2NO
Molecular Weight167.11 g/mol
Exact Mass167.02
IUPAC Name2,4-difluoroindol-3-one
SMILESO=C1C(F)=Nc2cccc(F)c21
InChIInChI=1S/C8H3F2NO/c9-4-2-1-3-5-6(4)7(12)8(10)11-5/h1-3H
InChIKeyMJPFEOCWRYHJHY-UHFFFAOYSA-N
XLogP2.02
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroindol-3-one?
The IUPAC name of 2,4-difluoroindol-3-one (CID 175017344) is 2,4-difluoroindol-3-one.
What is the SMILES notation for 2,4-difluoroindol-3-one?
The canonical SMILES for 2,4-difluoroindol-3-one is O=C1C(F)=Nc2cccc(F)c21.
What is the InChIKey of 2,4-difluoroindol-3-one?
The InChIKey is MJPFEOCWRYHJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2NO/c9-4-2-1-3-5-6(4)7(12)8(10)11-5/h1-3H.
What are the key properties of 2,4-difluoroindol-3-one?
2,4-difluoroindol-3-one has a molecular weight of 167.11 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoroindol-3-one is sourced from PubChem (CID 175017344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).