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

C10H5ClFNO2 — CID 543176

IUPAC1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H5ClFNO2/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(13)15/h1-5H
InChIKeyMALVOABWAGKNIK-UHFFFAOYSA-N
MW225.61 g/mol
LogP1.91
Rot. Bonds1

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

1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 543176) has the molecular formula C10H5ClFNO2 and a molecular weight of 225.61 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
PubChem CID543176
Molecular FormulaC10H5ClFNO2
Molecular Weight225.61 g/mol
Exact Mass225.00
IUPAC Name1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H5ClFNO2/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(13)15/h1-5H
InChIKeyMALVOABWAGKNIK-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.61
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dimethachlon
CID 90363
N-Phenylmaleimide
CID 13662
Fluoroimide
CID 93228
1-(2-chlorophenyl)-1H-pyrrole-2,5-dione
CID 14550
1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione
CID 15400
N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
CID 532127
N-(4-Fluoro-phenyl)maleimide
CID 96153
1-(2,4-dichlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 243249
1-(3-chloro-2-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 243573
1-(3-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 248003
1-(3-chloro-4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 707109
1-(3,4-Dichlorophenyl)-1H-pyrrole-2,5-dione
CID 708301

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione (CID 543176) is 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is MALVOABWAGKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(13)15/h1-5H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione?
1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 225.61 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 543176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).