N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide

C12H12F2N2O3 — CID 171846894

IUPACN-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide
SMILESO=C1CCC(NC(=O)C2=C(F)C(F)CC=C2)C(=O)N1
InChIInChI=1S/C12H12F2N2O3/c13-7-3-1-2-6(10(7)14)11(18)15-8-4-5-9(17)16-12(8)19/h1-2,7-8H,3-5H2,(H,15,18)(H,16,17,19)
InChIKeySGOQSBABIHTWCI-UHFFFAOYSA-N
MW270.23 g/mol
LogP0.43
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide

N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide (PubChem CID 171846894) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.23 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide
PubChem CID171846894
Molecular FormulaC12H12F2N2O3
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide
SMILESO=C1CCC(NC(=O)C2=C(F)C(F)CC=C2)C(=O)N1
InChIInChI=1S/C12H12F2N2O3/c13-7-3-1-2-6(10(7)14)11(18)15-8-4-5-9(17)16-12(8)19/h1-2,7-8H,3-5H2,(H,15,18)(H,16,17,19)
InChIKeySGOQSBABIHTWCI-UHFFFAOYSA-N
XLogP0.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide (CID 171846894) is N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide is O=C1CCC(NC(=O)C2=C(F)C(F)CC=C2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide?
The InChIKey is SGOQSBABIHTWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-7-3-1-2-6(10(7)14)11(18)15-8-4-5-9(17)16-12(8)19/h1-2,7-8H,3-5H2,(H,15,18)(H,16,17,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide has a molecular weight of 270.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2,3-difluorocyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 171846894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).