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

C10H9BrFNO — CID 67155260

IUPAC1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(Br)c1F
InChIInChI=1S/C10H9BrFNO/c11-7-3-1-4-8(10(7)12)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2
InChIKeyAJXRYKPZBODERN-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.71
Rot. Bonds1

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

1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one (PubChem CID 67155260) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one
PubChem CID67155260
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(Br)c1F
InChIInChI=1S/C10H9BrFNO/c11-7-3-1-4-8(10(7)12)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2
InChIKeyAJXRYKPZBODERN-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one (CID 67155260) is 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one is O=C1CCCN1c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is AJXRYKPZBODERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c11-7-3-1-4-8(10(7)12)13-6-2-5-9(13)14/h1,3-4H,2,5-6H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one?
1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 258.09 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 67155260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).