5,5-difluoro-1,4-dihydroindole-2,3-dione

C8H5F2NO2 — CID 152624438

IUPAC5,5-difluoro-1,4-dihydroindole-2,3-dione
SMILESO=C1NC2=C(CC(F)(F)C=C2)C1=O
InChIInChI=1S/C8H5F2NO2/c9-8(10)2-1-5-4(3-8)6(12)7(13)11-5/h1-2H,3H2,(H,11,12,13)
InChIKeyZCFCNDTZGMMMOH-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.53
Rot. Bonds

About 5,5-difluoro-1,4-dihydroindole-2,3-dione

5,5-difluoro-1,4-dihydroindole-2,3-dione (PubChem CID 152624438) has the molecular formula C8H5F2NO2 and a molecular weight of 185.13 g/mol. Its IUPAC name is 5,5-difluoro-1,4-dihydroindole-2,3-dione.

Molecular Properties

Compound Name5,5-difluoro-1,4-dihydroindole-2,3-dione
PubChem CID152624438
Molecular FormulaC8H5F2NO2
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name5,5-difluoro-1,4-dihydroindole-2,3-dione
SMILESO=C1NC2=C(CC(F)(F)C=C2)C1=O
InChIInChI=1S/C8H5F2NO2/c9-8(10)2-1-5-4(3-8)6(12)7(13)11-5/h1-2H,3H2,(H,11,12,13)
InChIKeyZCFCNDTZGMMMOH-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1,4-dihydroindole-2,3-dione?
The IUPAC name of 5,5-difluoro-1,4-dihydroindole-2,3-dione (CID 152624438) is 5,5-difluoro-1,4-dihydroindole-2,3-dione.
What is the SMILES notation for 5,5-difluoro-1,4-dihydroindole-2,3-dione?
The canonical SMILES for 5,5-difluoro-1,4-dihydroindole-2,3-dione is O=C1NC2=C(CC(F)(F)C=C2)C1=O.
What is the InChIKey of 5,5-difluoro-1,4-dihydroindole-2,3-dione?
The InChIKey is ZCFCNDTZGMMMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2/c9-8(10)2-1-5-4(3-8)6(12)7(13)11-5/h1-2H,3H2,(H,11,12,13).
What are the key properties of 5,5-difluoro-1,4-dihydroindole-2,3-dione?
5,5-difluoro-1,4-dihydroindole-2,3-dione has a molecular weight of 185.13 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1,4-dihydroindole-2,3-dione is sourced from PubChem (CID 152624438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).