3,3-difluoro-5-nitro-1H-indol-2-one

C8H4F2N2O3 — CID 11063780

IUPAC3,3-difluoro-5-nitro-1H-indol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1(F)F
InChIInChI=1S/C8H4F2N2O3/c9-8(10)5-3-4(12(14)15)1-2-6(5)11-7(8)13/h1-3H,(H,11,13)
InChIKeyLYOPOVPPAPVXHE-UHFFFAOYSA-N
MW214.13 g/mol
LogP1.64
Rot. Bonds1

About 3,3-difluoro-5-nitro-1H-indol-2-one

3,3-difluoro-5-nitro-1H-indol-2-one (PubChem CID 11063780) has the molecular formula C8H4F2N2O3 and a molecular weight of 214.13 g/mol. Its IUPAC name is 3,3-difluoro-5-nitro-1H-indol-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-nitro-1H-indol-2-one
PubChem CID11063780
Molecular FormulaC8H4F2N2O3
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name3,3-difluoro-5-nitro-1H-indol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1(F)F
InChIInChI=1S/C8H4F2N2O3/c9-8(10)5-3-4(12(14)15)1-2-6(5)11-7(8)13/h1-3H,(H,11,13)
InChIKeyLYOPOVPPAPVXHE-UHFFFAOYSA-N
XLogP1.64
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,3-difluoro-5-nitro-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-nitro-1H-indol-2-one?
The IUPAC name of 3,3-difluoro-5-nitro-1H-indol-2-one (CID 11063780) is 3,3-difluoro-5-nitro-1H-indol-2-one.
What is the SMILES notation for 3,3-difluoro-5-nitro-1H-indol-2-one?
The canonical SMILES for 3,3-difluoro-5-nitro-1H-indol-2-one is O=C1Nc2ccc([N+](=O)[O-])cc2C1(F)F.
What is the InChIKey of 3,3-difluoro-5-nitro-1H-indol-2-one?
The InChIKey is LYOPOVPPAPVXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O3/c9-8(10)5-3-4(12(14)15)1-2-6(5)11-7(8)13/h1-3H,(H,11,13).
What are the key properties of 3,3-difluoro-5-nitro-1H-indol-2-one?
3,3-difluoro-5-nitro-1H-indol-2-one has a molecular weight of 214.13 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-nitro-1H-indol-2-one is sourced from PubChem (CID 11063780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).