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

C10H6Br2FNO2 — CID 106695224

IUPAC3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cc(Br)ccc2F)C1Br
InChIInChI=1S/C10H6Br2FNO2/c11-4-1-2-6(13)5(3-4)7-8(12)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16)
InChIKeyYNBKPHCIEOVGBQ-UHFFFAOYSA-N
MW350.97 g/mol
LogP2.09
Rot. Bonds1

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

3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 106695224) has the molecular formula C10H6Br2FNO2 and a molecular weight of 350.97 g/mol. Its IUPAC name is 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID106695224
Molecular FormulaC10H6Br2FNO2
Molecular Weight350.97 g/mol
Exact Mass348.87
IUPAC Name3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2cc(Br)ccc2F)C1Br
InChIInChI=1S/C10H6Br2FNO2/c11-4-1-2-6(13)5(3-4)7-8(12)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16)
InChIKeyYNBKPHCIEOVGBQ-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.97
LogP ≤ 52.09
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-fluoro-4-nitrophenyl)pyrrolidine-2,5-dione
CID 106695235
5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 82997078
3-bromo-4-(2,6-difluoro-3-methylphenyl)pyrrolidine-2,5-dione
CID 106695344
3-(5-bromo-2-fluorophenyl)piperazin-2-one
CID 62349992
3-bromo-4-(4-chloro-2-nitrophenyl)pyrrolidine-2,5-dione
CID 106695218
(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
3-bromo-4-(3,5-dichloro-4-fluorophenyl)pyrrolidine-2,5-dione
CID 107581138
3-bromo-4-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 106695226
(4R)-4-(5-bromo-2-fluorophenyl)-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 704724
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
3-(5-bromo-2-fluoroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43555314
(3S)-5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 7379394

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione (CID 106695224) is 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione is O=C1NC(=O)C(c2cc(Br)ccc2F)C1Br.
What is the InChIKey of 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is YNBKPHCIEOVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2FNO2/c11-4-1-2-6(13)5(3-4)7-8(12)10(16)14-9(7)15/h1-3,7-8H,(H,14,15,16).
What are the key properties of 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione?
3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 350.97 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(5-bromo-2-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106695224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).