4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile

C13H8FN3O2 — CID 22621516

IUPAC4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESN#CC1C(=O)NC(=O)C(C#N)C1c1ccccc1F
InChIInChI=1S/C13H8FN3O2/c14-10-4-2-1-3-7(10)11-8(5-15)12(18)17-13(19)9(11)6-16/h1-4,8-9,11H,(H,17,18,19)
InChIKeyHNRXLCVCDYXDLE-UHFFFAOYSA-N
MW257.22 g/mol
LogP0.85
Rot. Bonds1

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

4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (PubChem CID 22621516) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
PubChem CID22621516
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
SMILESN#CC1C(=O)NC(=O)C(C#N)C1c1ccccc1F
InChIInChI=1S/C13H8FN3O2/c14-10-4-2-1-3-7(10)11-8(5-15)12(18)17-13(19)9(11)6-16/h1-4,8-9,11H,(H,17,18,19)
InChIKeyHNRXLCVCDYXDLE-UHFFFAOYSA-N
XLogP0.85
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile?
The IUPAC name of 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (CID 22621516) is 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile is N#CC1C(=O)NC(=O)C(C#N)C1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile?
The InChIKey is HNRXLCVCDYXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-10-4-2-1-3-7(10)11-8(5-15)12(18)17-13(19)9(11)6-16/h1-4,8-9,11H,(H,17,18,19).
What are the key properties of 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile?
4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile has a molecular weight of 257.22 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile is sourced from PubChem (CID 22621516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).