1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione

C11H6ClF2NO2 — CID 61359484

IUPAC1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione
SMILESC=C(Cl)CN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C11H6ClF2NO2/c1-5(12)4-15-8-3-6(13)2-7(14)9(8)10(16)11(15)17/h2-3H,1,4H2
InChIKeyYTKMWEWADHDGGO-UHFFFAOYSA-N
MW257.62 g/mol
LogP2.25
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione

1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione (PubChem CID 61359484) has the molecular formula C11H6ClF2NO2 and a molecular weight of 257.62 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione
PubChem CID61359484
Molecular FormulaC11H6ClF2NO2
Molecular Weight257.62 g/mol
Exact Mass257.01
IUPAC Name1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione
SMILESC=C(Cl)CN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C11H6ClF2NO2/c1-5(12)4-15-8-3-6(13)2-7(14)9(8)10(16)11(15)17/h2-3H,1,4H2
InChIKeyYTKMWEWADHDGGO-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.62
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-cyclopropyl-2-oxoethyl)-4,6-difluoroindole-2,3-dione
CID 63915273
1-butyl-4,6-difluoroindole-2,3-dione
CID 61357345
4,6-difluoro-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61388334
4,6-difluoro-1-(4-oxopentyl)indole-2,3-dione
CID 62023301
1-[2-(ethylamino)ethyl]-4,6-difluoroindole-2,3-dione
CID 61388200
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4,6-difluoroindole-2,3-dione
CID 65014649
4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione
CID 106988691
4,6-difluoro-1-(oxolan-2-ylmethyl)indole-2,3-dione
CID 55090457
1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione
CID 61358318
4,6-difluoro-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63775885
5-bromo-6-fluoro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61359301
4,6-difluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
CID 61359679

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione (CID 61359484) is 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione is C=C(Cl)CN1C(=O)C(=O)c2c(F)cc(F)cc21.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione?
The InChIKey is YTKMWEWADHDGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2NO2/c1-5(12)4-15-8-3-6(13)2-7(14)9(8)10(16)11(15)17/h2-3H,1,4H2.
What are the key properties of 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione?
1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione has a molecular weight of 257.62 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-4,6-difluoroindole-2,3-dione is sourced from PubChem (CID 61359484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).