1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one

C14H11F2NO4 — CID 90081608

IUPAC1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1oc(-c2c(F)cccc2F)c(O)c1O
InChIInChI=1S/C14H11F2NO4/c15-7-3-1-4-8(16)10(7)13-11(19)12(20)14(21-13)17-6-2-5-9(17)18/h1,3-4,19-20H,2,5-6H2
InChIKeyUBFBHXYQQLGHCW-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.76
Rot. Bonds2

About 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one

1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (PubChem CID 90081608) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
PubChem CID90081608
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1oc(-c2c(F)cccc2F)c(O)c1O
InChIInChI=1S/C14H11F2NO4/c15-7-3-1-4-8(16)10(7)13-11(19)12(20)14(21-13)17-6-2-5-9(17)18/h1,3-4,19-20H,2,5-6H2
InChIKeyUBFBHXYQQLGHCW-UHFFFAOYSA-N
XLogP2.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (CID 90081608) is 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is O=C1CCCN1c1oc(-c2c(F)cccc2F)c(O)c1O.
What is the InChIKey of 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The InChIKey is UBFBHXYQQLGHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c15-7-3-1-4-8(16)10(7)13-11(19)12(20)14(21-13)17-6-2-5-9(17)18/h1,3-4,19-20H,2,5-6H2.
What are the key properties of 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one has a molecular weight of 295.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 90081608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).