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

C11H8BrF2NO2 — CID 106695344

IUPAC3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(F)c(C2C(=O)NC(=O)C2Br)c1F
InChIInChI=1S/C11H8BrF2NO2/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)
InChIKeyUBZLAFSJDGVNGW-UHFFFAOYSA-N
MW304.09 g/mol
LogP1.78
Rot. Bonds1

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

3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 106695344) has the molecular formula C11H8BrF2NO2 and a molecular weight of 304.09 g/mol. Its IUPAC name is 3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID106695344
Molecular FormulaC11H8BrF2NO2
Molecular Weight304.09 g/mol
Exact Mass302.97
IUPAC Name3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(F)c(C2C(=O)NC(=O)C2Br)c1F
InChIInChI=1S/C11H8BrF2NO2/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)
InChIKeyUBZLAFSJDGVNGW-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 51.78
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-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
CID 106695138
3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione
CID 106695224
3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 107581138
4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
CID 83261660
1,4-difluoro-5,8-dimethylanthracene-9,10-dione
CID 10890992
(4S)-4-(2,6-difluoro-3-methylphenyl)-1,3-oxazinan-2-one
CID 171185840
2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine
CID 82827536
3-chloro-4-(5-fluoro-2-methylphenyl)pyrrolidine-2,5-dione
CID 106695025
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione (CID 106695344) is 3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(F)c(C2C(=O)NC(=O)C2Br)c1F.
What is the InChIKey of 3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is UBZLAFSJDGVNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO2/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-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione?
3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 304.09 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106695344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).