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

C10H6Cl2FNO2 — CID 106695023

IUPAC3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(F)cc2Cl)C1Cl
InChIInChI=1S/C10H6Cl2FNO2/c11-6-3-4(13)1-2-5(6)7-8(12)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16)
InChIKeyCPTKNQZZTYYNHB-UHFFFAOYSA-N
MW262.07 g/mol
LogP1.83
Rot. Bonds1

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

3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 106695023) has the molecular formula C10H6Cl2FNO2 and a molecular weight of 262.07 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID106695023
Molecular FormulaC10H6Cl2FNO2
Molecular Weight262.07 g/mol
Exact Mass260.98
IUPAC Name3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2ccc(F)cc2Cl)C1Cl
InChIInChI=1S/C10H6Cl2FNO2/c11-6-3-4(13)1-2-5(6)7-8(12)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16)
InChIKeyCPTKNQZZTYYNHB-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
CID 106695025
3-chloro-4-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 106694974
3-(2-bromo-3-chlorophenyl)-4-chloropyrrolidine-2,5-dione
CID 106695184
3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 106695027
6-fluoro-3a,11b-dihydrophenanthro[9,10-c]pyrrole-1,3-dione
CID 14612226
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 106694890
3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
CID 106695138
3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
CID 106694928
(4R)-4-(2-chloro-4-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186570
2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene
CID 177193132
3-chloro-4-(4-iodophenyl)pyrrolidine-2,5-dione
CID 106695059
3-[3-bromo-5-(trifluoromethyl)phenyl]-4-chloropyrrolidine-2,5-dione
CID 106695089

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione (CID 106695023) is 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione is O=C1NC(=O)C(c2ccc(F)cc2Cl)C1Cl.
What is the InChIKey of 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is CPTKNQZZTYYNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNO2/c11-6-3-4(13)1-2-5(6)7-8(12)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16).
What are the key properties of 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione?
3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 262.07 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106695023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).