3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione

C11H8ClF2NO2 — CID 106695138

IUPAC3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(F)c(C2C(=O)NC(=O)C2Cl)c1F
InChIInChI=1S/C11H8ClF2NO2/c1-4-2-3-5(13)6(9(4)14)7-8(12)11(17)15-10(7)16/h2-3,7-8H,1H3,(H,15,16,17)
InChIKeyAEDKNYCJQDHIFU-UHFFFAOYSA-N
MW259.64 g/mol
LogP1.62
Rot. Bonds1

About 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione

3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 106695138) has the molecular formula C11H8ClF2NO2 and a molecular weight of 259.64 g/mol. Its IUPAC name is 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID106695138
Molecular FormulaC11H8ClF2NO2
Molecular Weight259.64 g/mol
Exact Mass259.02
IUPAC Name3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(F)c(C2C(=O)NC(=O)C2Cl)c1F
InChIInChI=1S/C11H8ClF2NO2/c1-4-2-3-5(13)6(9(4)14)7-8(12)11(17)15-10(7)16/h2-3,7-8H,1H3,(H,15,16,17)
InChIKeyAEDKNYCJQDHIFU-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.64
LogP ≤ 51.62
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-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
CID 106695344
3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
CID 106695025
3-chloro-4-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 106694890
3-(4-bromo-3-methylphenyl)-4-chloropyrrolidine-2,5-dione
CID 106694895
(4S)-4-(2,6-difluoro-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185840
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
CID 83261660
3-chloro-4-(2-chloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 106695023
3-chloro-4-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 106694879
1,4-difluoro-5,8-dimethylanthracene-9,10-dione
CID 10890992
3-chloro-4-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 106694973
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione (CID 106695138) is 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(F)c(C2C(=O)NC(=O)C2Cl)c1F.
What is the InChIKey of 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is AEDKNYCJQDHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NO2/c1-4-2-3-5(13)6(9(4)14)7-8(12)11(17)15-10(7)16/h2-3,7-8H,1H3,(H,15,16,17).
What are the key properties of 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione?
3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 259.64 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106695138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).