[5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

C16H13F2NO5 — CID 90080718

IUPAC[5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCC2=O)oc(-c2c(F)cccc2F)c1O
InChIInChI=1S/C16H13F2NO5/c1-8(20)23-15-13(22)14(12-9(17)4-2-5-10(12)18)24-16(15)19-7-3-6-11(19)21/h2,4-5,22H,3,6-7H2,1H3
InChIKeyPBQHBOHCSHQMIA-UHFFFAOYSA-N
MW337.28 g/mol
LogP2.98
Rot. Bonds3

About [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate

[5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (PubChem CID 90080718) has the molecular formula C16H13F2NO5 and a molecular weight of 337.28 g/mol. Its IUPAC name is [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
PubChem CID90080718
Molecular FormulaC16H13F2NO5
Molecular Weight337.28 g/mol
Exact Mass337.08
IUPAC Name[5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCC2=O)oc(-c2c(F)cccc2F)c1O
InChIInChI=1S/C16H13F2NO5/c1-8(20)23-15-13(22)14(12-9(17)4-2-5-10(12)18)24-16(15)19-7-3-6-11(19)21/h2,4-5,22H,3,6-7H2,1H3
InChIKeyPBQHBOHCSHQMIA-UHFFFAOYSA-N
XLogP2.98
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The IUPAC name of [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate (CID 90080718) is [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate.
What is the SMILES notation for [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The canonical SMILES for [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is CC(=O)Oc1c(N2CCCC2=O)oc(-c2c(F)cccc2F)c1O.
What is the InChIKey of [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
The InChIKey is PBQHBOHCSHQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO5/c1-8(20)23-15-13(22)14(12-9(17)4-2-5-10(12)18)24-16(15)19-7-3-6-11(19)21/h2,4-5,22H,3,6-7H2,1H3.
What are the key properties of [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate?
[5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate has a molecular weight of 337.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-difluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate is sourced from PubChem (CID 90080718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).