1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one

C15H13F2NO4 — CID 140833556

IUPAC1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1(c2cc(F)ccc2F)OC(N2CCCC2=O)=C(O)C1=O
InChIInChI=1S/C15H13F2NO4/c1-15(9-7-8(16)4-5-10(9)17)13(21)12(20)14(22-15)18-6-2-3-11(18)19/h4-5,7,20H,2-3,6H2,1H3
InChIKeyLPCKMVPUZPZEEF-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.13
Rot. Bonds2

About 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one

1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one (PubChem CID 140833556) has the molecular formula C15H13F2NO4 and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
PubChem CID140833556
Molecular FormulaC15H13F2NO4
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Name1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
SMILESCC1(c2cc(F)ccc2F)OC(N2CCCC2=O)=C(O)C1=O
InChIInChI=1S/C15H13F2NO4/c1-15(9-7-8(16)4-5-10(9)17)13(21)12(20)14(22-15)18-6-2-3-11(18)19/h4-5,7,20H,2-3,6H2,1H3
InChIKeyLPCKMVPUZPZEEF-UHFFFAOYSA-N
XLogP2.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one (CID 140833556) is 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one is CC1(c2cc(F)ccc2F)OC(N2CCCC2=O)=C(O)C1=O.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
The InChIKey is LPCKMVPUZPZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4/c1-15(9-7-8(16)4-5-10(9)17)13(21)12(20)14(22-15)18-6-2-3-11(18)19/h4-5,7,20H,2-3,6H2,1H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one?
1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one has a molecular weight of 309.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 140833556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).