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

C10H9F2NO — CID 23053066

IUPAC1-(2,4-difluorophenyl)pyrrolidin-3-one
SMILESO=C1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C10H9F2NO/c11-7-1-2-10(9(12)5-7)13-4-3-8(14)6-13/h1-2,5H,3-4,6H2
InChIKeyTUJVWWUBXQGNNY-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.74
Rot. Bonds1

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

1-(2,4-difluorophenyl)pyrrolidin-3-one (PubChem CID 23053066) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)pyrrolidin-3-one
PubChem CID23053066
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name1-(2,4-difluorophenyl)pyrrolidin-3-one
SMILESO=C1CCN(c2ccc(F)cc2F)C1
InChIInChI=1S/C10H9F2NO/c11-7-1-2-10(9(12)5-7)13-4-3-8(14)6-13/h1-2,5H,3-4,6H2
InChIKeyTUJVWWUBXQGNNY-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)pyrrolidin-3-one?
The IUPAC name of 1-(2,4-difluorophenyl)pyrrolidin-3-one (CID 23053066) is 1-(2,4-difluorophenyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2,4-difluorophenyl)pyrrolidin-3-one is O=C1CCN(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)pyrrolidin-3-one?
The InChIKey is TUJVWWUBXQGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-7-1-2-10(9(12)5-7)13-4-3-8(14)6-13/h1-2,5H,3-4,6H2.
What are the key properties of 1-(2,4-difluorophenyl)pyrrolidin-3-one?
1-(2,4-difluorophenyl)pyrrolidin-3-one has a molecular weight of 197.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)pyrrolidin-3-one is sourced from PubChem (CID 23053066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).