3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one

C10H8Br2FNO — CID 65437036

IUPAC3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C10H8Br2FNO/c11-7-2-1-6(5-9(7)13)14-4-3-8(12)10(14)15/h1-2,5,8H,3-4H2
InChIKeyOFCWHZNOJPDHPA-UHFFFAOYSA-N
MW336.99 g/mol
LogP3.09
Rot. Bonds1

About 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one

3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one (PubChem CID 65437036) has the molecular formula C10H8Br2FNO and a molecular weight of 336.99 g/mol. Its IUPAC name is 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one
PubChem CID65437036
Molecular FormulaC10H8Br2FNO
Molecular Weight336.99 g/mol
Exact Mass334.90
IUPAC Name3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C10H8Br2FNO/c11-7-2-1-6(5-9(7)13)14-4-3-8(12)10(14)15/h1-2,5,8H,3-4H2
InChIKeyOFCWHZNOJPDHPA-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.99
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one (CID 65437036) is 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one is O=C1C(Br)CCN1c1ccc(Br)c(F)c1.
What is the InChIKey of 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is OFCWHZNOJPDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2FNO/c11-7-2-1-6(5-9(7)13)14-4-3-8(12)10(14)15/h1-2,5,8H,3-4H2.
What are the key properties of 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one?
3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 336.99 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 65437036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).