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

C10H5ClFNO2 — CID 106695022

IUPAC3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(F)cc2Cl)C(=O)N1
InChIInChI=1S/C10H5ClFNO2/c11-8-3-5(12)1-2-6(8)7-4-9(14)13-10(7)15/h1-4H,(H,13,14,15)
InChIKeyGTDGFWAPZQNUAG-UHFFFAOYSA-N
MW225.61 g/mol
LogP1.52
Rot. Bonds1

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

3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 106695022) has the molecular formula C10H5ClFNO2 and a molecular weight of 225.61 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione
PubChem CID106695022
Molecular FormulaC10H5ClFNO2
Molecular Weight225.61 g/mol
Exact Mass225.00
IUPAC Name3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(F)cc2Cl)C(=O)N1
InChIInChI=1S/C10H5ClFNO2/c11-8-3-5(12)1-2-6(8)7-4-9(14)13-10(7)15/h1-4H,(H,13,14,15)
InChIKeyGTDGFWAPZQNUAG-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.61
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-2-methylphenyl)pyrrole-2,5-dione
CID 106695029
3-(2,6-dichlorophenyl)pyrrole-2,5-dione
CID 54029727
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-(3-bromo-5-fluorophenyl)pyrrole-2,5-dione
CID 131107956
benzene;5-fluoroisoindole-1,3-dione
CID 174849792
3-(2-chloro-4-fluorophenyl)-1H-pyrazin-2-one
CID 106520984
5-(2-chloro-4-fluorophenyl)-2-methyl-3-oxo-1H-pyrazole-4-carbaldehyde
CID 118538035
3-(2-bromo-4,6-difluorophenyl)pyrrole-2,5-dione
CID 106695073
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
1-chloro-3-(2-chloro-4-fluorophenyl)-5-fluorobenzene
CID 173442446
2,4-dichloro-6-(2-chloro-4-fluorophenyl)-1,3,5-triazine
CID 115504981

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione (CID 106695022) is 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione is O=C1C=C(c2ccc(F)cc2Cl)C(=O)N1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is GTDGFWAPZQNUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2/c11-8-3-5(12)1-2-6(8)7-4-9(14)13-10(7)15/h1-4H,(H,13,14,15).
What are the key properties of 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione?
3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 225.61 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 106695022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).