3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one

C10H8BrF2NO — CID 63788910

IUPAC3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1ccc(F)c(F)c1
InChIInChI=1S/C10H8BrF2NO/c11-7-3-4-14(10(7)15)6-1-2-8(12)9(13)5-6/h1-2,5,7H,3-4H2
InChIKeyPXLDPQPLXBFMAG-UHFFFAOYSA-N
MW276.08 g/mol
LogP2.46
Rot. Bonds1

About 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one

3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 63788910) has the molecular formula C10H8BrF2NO and a molecular weight of 276.08 g/mol. Its IUPAC name is 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one
PubChem CID63788910
Molecular FormulaC10H8BrF2NO
Molecular Weight276.08 g/mol
Exact Mass274.98
IUPAC Name3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1ccc(F)c(F)c1
InChIInChI=1S/C10H8BrF2NO/c11-7-3-4-14(10(7)15)6-1-2-8(12)9(13)5-6/h1-2,5,7H,3-4H2
InChIKeyPXLDPQPLXBFMAG-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 52.46
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-(3,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one (CID 63788910) is 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one is O=C1C(Br)CCN1c1ccc(F)c(F)c1.
What is the InChIKey of 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is PXLDPQPLXBFMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO/c11-7-3-4-14(10(7)15)6-1-2-8(12)9(13)5-6/h1-2,5,7H,3-4H2.
What are the key properties of 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one?
3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 276.08 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 63788910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).