[5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

C17H15F2NO5 — CID 140833709

IUPAC[5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C17H15F2NO5/c1-9(21)24-14-15(23)17(2,10-5-6-11(18)12(19)8-10)25-16(14)20-7-3-4-13(20)22/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOKWPUUUYWLNUED-UHFFFAOYSA-N
MW351.31 g/mol
LogP2.13
Rot. Bonds3

About [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

[5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (PubChem CID 140833709) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
PubChem CID140833709
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name[5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C17H15F2NO5/c1-9(21)24-14-15(23)17(2,10-5-6-11(18)12(19)8-10)25-16(14)20-7-3-4-13(20)22/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOKWPUUUYWLNUED-UHFFFAOYSA-N
XLogP2.13
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The IUPAC name of [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (CID 140833709) is [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.
What is the SMILES notation for [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The canonical SMILES for [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is CC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The InChIKey is OKWPUUUYWLNUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-9(21)24-14-15(23)17(2,10-5-6-11(18)12(19)8-10)25-16(14)20-7-3-4-13(20)22/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
[5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate has a molecular weight of 351.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is sourced from PubChem (CID 140833709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).