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

C14H9ClFNO5 — CID 90081895

IUPAC1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1oc(-c2ccc(F)c(Cl)c2)c(O)c1O
InChIInChI=1S/C14H9ClFNO5/c15-7-5-6(1-2-8(7)16)13-11(20)12(21)14(22-13)17-9(18)3-4-10(17)19/h1-2,5,20-21H,3-4H2
InChIKeyCVTUZWVJAMSHMT-UHFFFAOYSA-N
MW325.68 g/mol
LogP2.80
Rot. Bonds2

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

1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 90081895) has the molecular formula C14H9ClFNO5 and a molecular weight of 325.68 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
PubChem CID90081895
Molecular FormulaC14H9ClFNO5
Molecular Weight325.68 g/mol
Exact Mass325.02
IUPAC Name1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1oc(-c2ccc(F)c(Cl)c2)c(O)c1O
InChIInChI=1S/C14H9ClFNO5/c15-7-5-6(1-2-8(7)16)13-11(20)12(21)14(22-13)17-9(18)3-4-10(17)19/h1-2,5,20-21H,3-4H2
InChIKeyCVTUZWVJAMSHMT-UHFFFAOYSA-N
XLogP2.80
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione (CID 90081895) is 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1oc(-c2ccc(F)c(Cl)c2)c(O)c1O.
What is the InChIKey of 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is CVTUZWVJAMSHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO5/c15-7-5-6(1-2-8(7)16)13-11(20)12(21)14(22-13)17-9(18)3-4-10(17)19/h1-2,5,20-21H,3-4H2.
What are the key properties of 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione has a molecular weight of 325.68 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90081895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).