3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione

C10H3Cl3FNO2 — CID 725181

IUPAC3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H3Cl3FNO2/c11-5-3-4(1-2-6(5)14)15-9(16)7(12)8(13)10(15)17/h1-3H
InChIKeyINKZIMLFRJNJEB-UHFFFAOYSA-N
MW294.50 g/mol
LogP3.04
Rot. Bonds1

About 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione

3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 725181) has the molecular formula C10H3Cl3FNO2 and a molecular weight of 294.50 g/mol. Its IUPAC name is 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
PubChem CID725181
Molecular FormulaC10H3Cl3FNO2
Molecular Weight294.50 g/mol
Exact Mass292.92
IUPAC Name3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H3Cl3FNO2/c11-5-3-4(1-2-6(5)14)15-9(16)7(12)8(13)10(15)17/h1-3H
InChIKeyINKZIMLFRJNJEB-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione (CID 725181) is 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione is O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is INKZIMLFRJNJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl3FNO2/c11-5-3-4(1-2-6(5)14)15-9(16)7(12)8(13)10(15)17/h1-3H.
What are the key properties of 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione?
3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 294.50 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 725181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).