1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one

C13H15F2NO — CID 67953121

IUPAC1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCC(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NO/c1-8(2)12-5-6-13(17)16(12)9-3-4-10(14)11(15)7-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyFIQABRIOLMVHKW-UHFFFAOYSA-N
MW239.26 g/mol
LogP3.12
Rot. Bonds2

About 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one

1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one (PubChem CID 67953121) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one
PubChem CID67953121
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCC(=O)N1c1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NO/c1-8(2)12-5-6-13(17)16(12)9-3-4-10(14)11(15)7-9/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyFIQABRIOLMVHKW-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one (CID 67953121) is 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one is CC(C)C1CCC(=O)N1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is FIQABRIOLMVHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-8(2)12-5-6-13(17)16(12)9-3-4-10(14)11(15)7-9/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one?
1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 239.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 67953121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).