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

C14H11F2NO4 — CID 90080709

IUPAC1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1oc(-c2cc(F)cc(F)c2)c(O)c1O
InChIInChI=1S/C14H11F2NO4/c15-8-4-7(5-9(16)6-8)13-11(19)12(20)14(21-13)17-3-1-2-10(17)18/h4-6,19-20H,1-3H2
InChIKeyRHADHBCLVFSRGY-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.76
Rot. Bonds2

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

1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (PubChem CID 90080709) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
PubChem CID90080709
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1oc(-c2cc(F)cc(F)c2)c(O)c1O
InChIInChI=1S/C14H11F2NO4/c15-8-4-7(5-9(16)6-8)13-11(19)12(20)14(21-13)17-3-1-2-10(17)18/h4-6,19-20H,1-3H2
InChIKeyRHADHBCLVFSRGY-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-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one (CID 90080709) is 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is O=C1CCCN1c1oc(-c2cc(F)cc(F)c2)c(O)c1O.
What is the InChIKey of 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
The InChIKey is RHADHBCLVFSRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c15-8-4-7(5-9(16)6-8)13-11(19)12(20)14(21-13)17-3-1-2-10(17)18/h4-6,19-20H,1-3H2.
What are the key properties of 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one?
1-[5-(3,5-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-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 90080709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).