3-(1,1-difluoroethyl)piperazine-2,5-dione

C6H8F2N2O2 — CID 15736096

IUPAC3-(1,1-difluoroethyl)piperazine-2,5-dione
SMILESCC(F)(F)C1NC(=O)CNC1=O
InChIInChI=1S/C6H8F2N2O2/c1-6(7,8)4-5(12)9-2-3(11)10-4/h4H,2H2,1H3,(H,9,12)(H,10,11)
InChIKeyVKDVNQOMDVGUEX-UHFFFAOYSA-N
MW178.14 g/mol
LogP-0.74
Rot. Bonds1

About 3-(1,1-difluoroethyl)piperazine-2,5-dione

3-(1,1-difluoroethyl)piperazine-2,5-dione (PubChem CID 15736096) has the molecular formula C6H8F2N2O2 and a molecular weight of 178.14 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)piperazine-2,5-dione
PubChem CID15736096
Molecular FormulaC6H8F2N2O2
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC Name3-(1,1-difluoroethyl)piperazine-2,5-dione
SMILESCC(F)(F)C1NC(=O)CNC1=O
InChIInChI=1S/C6H8F2N2O2/c1-6(7,8)4-5(12)9-2-3(11)10-4/h4H,2H2,1H3,(H,9,12)(H,10,11)
InChIKeyVKDVNQOMDVGUEX-UHFFFAOYSA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3-(1,1-difluoroethyl)piperazine-2,5-dione (CID 15736096) is 3-(1,1-difluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(1,1-difluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3-(1,1-difluoroethyl)piperazine-2,5-dione is CC(F)(F)C1NC(=O)CNC1=O.
What is the InChIKey of 3-(1,1-difluoroethyl)piperazine-2,5-dione?
The InChIKey is VKDVNQOMDVGUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O2/c1-6(7,8)4-5(12)9-2-3(11)10-4/h4H,2H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-(1,1-difluoroethyl)piperazine-2,5-dione?
3-(1,1-difluoroethyl)piperazine-2,5-dione has a molecular weight of 178.14 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 15736096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).