4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid

C13H10FNO6 — CID 90912887

IUPAC4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid
SMILESO=C(O)C1C(=O)NC(=O)C(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C13H10FNO6/c14-6-3-1-5(2-4-6)7-8(12(18)19)10(16)15-11(17)9(7)13(20)21/h1-4,7-9H,(H,18,19)(H,20,21)(H,15,16,17)
InChIKeyQYSHFWCNGLOYRF-UHFFFAOYSA-N
MW295.22 g/mol
LogP-0.03
Rot. Bonds3

About 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid

4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid (PubChem CID 90912887) has the molecular formula C13H10FNO6 and a molecular weight of 295.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid
PubChem CID90912887
Molecular FormulaC13H10FNO6
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid
SMILESO=C(O)C1C(=O)NC(=O)C(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C13H10FNO6/c14-6-3-1-5(2-4-6)7-8(12(18)19)10(16)15-11(17)9(7)13(20)21/h1-4,7-9H,(H,18,19)(H,20,21)(H,15,16,17)
InChIKeyQYSHFWCNGLOYRF-UHFFFAOYSA-N
XLogP-0.03
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid (CID 90912887) is 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid is O=C(O)C1C(=O)NC(=O)C(C(=O)O)C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid?
The InChIKey is QYSHFWCNGLOYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO6/c14-6-3-1-5(2-4-6)7-8(12(18)19)10(16)15-11(17)9(7)13(20)21/h1-4,7-9H,(H,18,19)(H,20,21)(H,15,16,17).
What are the key properties of 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid?
4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid has a molecular weight of 295.22 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarboxylic acid is sourced from PubChem (CID 90912887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).