5-(3,4-difluorophenyl)pyrrolidin-2-one

C10H9F2NO — CID 58915238

IUPAC5-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(F)c(F)c2)N1
InChIInChI=1S/C10H9F2NO/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14)
InChIKeyLAYGLQLNROQWTE-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.92
Rot. Bonds1

About 5-(3,4-difluorophenyl)pyrrolidin-2-one

5-(3,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 58915238) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)pyrrolidin-2-one
PubChem CID58915238
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name5-(3,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(F)c(F)c2)N1
InChIInChI=1S/C10H9F2NO/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14)
InChIKeyLAYGLQLNROQWTE-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 5-(3,4-difluorophenyl)pyrrolidin-2-one (CID 58915238) is 5-(3,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(3,4-difluorophenyl)pyrrolidin-2-one is O=C1CCC(c2ccc(F)c(F)c2)N1.
What is the InChIKey of 5-(3,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is LAYGLQLNROQWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-2,5,9H,3-4H2,(H,13,14).
What are the key properties of 5-(3,4-difluorophenyl)pyrrolidin-2-one?
5-(3,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 197.18 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 58915238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).