1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione

C11H5Cl2F2NO2 — CID 79172649

IUPAC1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC(Cl)=CCl)c2c(F)cc(F)cc21
InChIInChI=1S/C11H5Cl2F2NO2/c12-3-5(13)4-16-9-7(10(17)11(16)18)1-6(14)2-8(9)15/h1-3H,4H2
InChIKeyPINKUTDLJIWGRM-UHFFFAOYSA-N
MW292.07 g/mol
LogP2.81
Rot. Bonds2

About 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione

1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione (PubChem CID 79172649) has the molecular formula C11H5Cl2F2NO2 and a molecular weight of 292.07 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione
PubChem CID79172649
Molecular FormulaC11H5Cl2F2NO2
Molecular Weight292.07 g/mol
Exact Mass290.97
IUPAC Name1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione
SMILESO=C1C(=O)N(CC(Cl)=CCl)c2c(F)cc(F)cc21
InChIInChI=1S/C11H5Cl2F2NO2/c12-3-5(13)4-16-9-7(10(17)11(16)18)1-6(14)2-8(9)15/h1-3H,4H2
InChIKeyPINKUTDLJIWGRM-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione?
The IUPAC name of 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione (CID 79172649) is 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione?
The canonical SMILES for 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione is O=C1C(=O)N(CC(Cl)=CCl)c2c(F)cc(F)cc21.
What is the InChIKey of 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione?
The InChIKey is PINKUTDLJIWGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F2NO2/c12-3-5(13)4-16-9-7(10(17)11(16)18)1-6(14)2-8(9)15/h1-3H,4H2.
What are the key properties of 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione?
1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione has a molecular weight of 292.07 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enyl)-5,7-difluoroindole-2,3-dione is sourced from PubChem (CID 79172649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).