1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

C11H7BrF3NO2 — CID 65490039

IUPAC1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cc(Br)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C11H7BrF3NO2/c12-7-3-6(11(13,14)15)4-8(5-7)16-2-1-9(17)10(16)18/h3-5H,1-2H2
InChIKeyASAAJYLZESUDKE-UHFFFAOYSA-N
MW322.08 g/mol
LogP2.77
Rot. Bonds1

About 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (PubChem CID 65490039) has the molecular formula C11H7BrF3NO2 and a molecular weight of 322.08 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
PubChem CID65490039
Molecular FormulaC11H7BrF3NO2
Molecular Weight322.08 g/mol
Exact Mass320.96
IUPAC Name1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
SMILESO=C1CCN(c2cc(Br)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C11H7BrF3NO2/c12-7-3-6(11(13,14)15)4-8(5-7)16-2-1-9(17)10(16)18/h3-5H,1-2H2
InChIKeyASAAJYLZESUDKE-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-2-imine
CID 65490840
1-(5-bromo-3-pyridinyl)pyrrolidine-2,3-dione
CID 130486103
1-[3-bromo-5-(trifluoromethyl)phenyl]-3-(methylamino)pyrrolidin-2-one
CID 65489048
1-(3,4,5-trifluorophenyl)pyrrolidine-2,3-dione
CID 62809349
4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione
CID 65491246
1-[3-bromo-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 65492020
1-[3-bromo-5-(trifluoromethyl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502675
1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719237
methyl 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168695124
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 65491427
1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2807570
1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
CID 122476687

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione (CID 65490039) is 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is O=C1CCN(c2cc(Br)cc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is ASAAJYLZESUDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO2/c12-7-3-6(11(13,14)15)4-8(5-7)16-2-1-9(17)10(16)18/h3-5H,1-2H2.
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione?
1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 322.08 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 65490039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).