1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione

C14H9F2NO5 — CID 90080964

IUPAC1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1oc(-c2cc(F)cc(F)c2)c(O)c1O
InChIInChI=1S/C14H9F2NO5/c15-7-3-6(4-8(16)5-7)13-11(20)12(21)14(22-13)17-9(18)1-2-10(17)19/h3-5,20-21H,1-2H2
InChIKeyMKVNEXFVBJBIMY-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.29
Rot. Bonds2

About 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione

1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 90080964) has the molecular formula C14H9F2NO5 and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
PubChem CID90080964
Molecular FormulaC14H9F2NO5
Molecular Weight309.22 g/mol
Exact Mass309.04
IUPAC Name1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1oc(-c2cc(F)cc(F)c2)c(O)c1O
InChIInChI=1S/C14H9F2NO5/c15-7-3-6(4-8(16)5-7)13-11(20)12(21)14(22-13)17-9(18)1-2-10(17)19/h3-5,20-21H,1-2H2
InChIKeyMKVNEXFVBJBIMY-UHFFFAOYSA-N
XLogP2.29
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione (CID 90080964) is 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1oc(-c2cc(F)cc(F)c2)c(O)c1O.
What is the InChIKey of 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is MKVNEXFVBJBIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO5/c15-7-3-6(4-8(16)5-7)13-11(20)12(21)14(22-13)17-9(18)1-2-10(17)19/h3-5,20-21H,1-2H2.
What are the key properties of 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione has a molecular weight of 309.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90080964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).