1-(3,4-difluorophenyl)pyrazolidin-3-one

C9H8F2N2O — CID 175369888

IUPAC1-(3,4-difluorophenyl)pyrazolidin-3-one
SMILESO=C1CCN(c2ccc(F)c(F)c2)N1
InChIInChI=1S/C9H8F2N2O/c10-7-2-1-6(5-8(7)11)13-4-3-9(14)12-13/h1-2,5H,3-4H2,(H,12,14)
InChIKeyONGINUDTHPFDBS-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.21
Rot. Bonds1

About 1-(3,4-difluorophenyl)pyrazolidin-3-one

1-(3,4-difluorophenyl)pyrazolidin-3-one (PubChem CID 175369888) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)pyrazolidin-3-one
PubChem CID175369888
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name1-(3,4-difluorophenyl)pyrazolidin-3-one
SMILESO=C1CCN(c2ccc(F)c(F)c2)N1
InChIInChI=1S/C9H8F2N2O/c10-7-2-1-6(5-8(7)11)13-4-3-9(14)12-13/h1-2,5H,3-4H2,(H,12,14)
InChIKeyONGINUDTHPFDBS-UHFFFAOYSA-N
XLogP1.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)pyrazolidin-3-one?
The IUPAC name of 1-(3,4-difluorophenyl)pyrazolidin-3-one (CID 175369888) is 1-(3,4-difluorophenyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)pyrazolidin-3-one?
The canonical SMILES for 1-(3,4-difluorophenyl)pyrazolidin-3-one is O=C1CCN(c2ccc(F)c(F)c2)N1.
What is the InChIKey of 1-(3,4-difluorophenyl)pyrazolidin-3-one?
The InChIKey is ONGINUDTHPFDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c10-7-2-1-6(5-8(7)11)13-4-3-9(14)12-13/h1-2,5H,3-4H2,(H,12,14).
What are the key properties of 1-(3,4-difluorophenyl)pyrazolidin-3-one?
1-(3,4-difluorophenyl)pyrazolidin-3-one has a molecular weight of 198.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)pyrazolidin-3-one is sourced from PubChem (CID 175369888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).