2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid

C11H9F2NO3 — CID 79729372

IUPAC2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
SMILESCC(C(=O)O)C1C(=O)Nc2cc(F)cc(F)c21
InChIInChI=1S/C11H9F2NO3/c1-4(11(16)17)8-9-6(13)2-5(12)3-7(9)14-10(8)15/h2-4,8H,1H3,(H,14,15)(H,16,17)
InChIKeyJYVFZAOFNWQGGJ-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.72
Rot. Bonds2

About 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid

2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid (PubChem CID 79729372) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
PubChem CID79729372
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
SMILESCC(C(=O)O)C1C(=O)Nc2cc(F)cc(F)c21
InChIInChI=1S/C11H9F2NO3/c1-4(11(16)17)8-9-6(13)2-5(12)3-7(9)14-10(8)15/h2-4,8H,1H3,(H,14,15)(H,16,17)
InChIKeyJYVFZAOFNWQGGJ-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid (CID 79729372) is 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid is CC(C(=O)O)C1C(=O)Nc2cc(F)cc(F)c21.
What is the InChIKey of 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is JYVFZAOFNWQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c1-4(11(16)17)8-9-6(13)2-5(12)3-7(9)14-10(8)15/h2-4,8H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid?
2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 241.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 79729372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).