1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione

C10H16F2N2O2 — CID 64879110

IUPAC1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NCC(=O)N1CC(F)F
InChIInChI=1S/C10H16F2N2O2/c1-6(2)3-7-10(16)13-4-9(15)14(7)5-8(11)12/h6-8H,3-5H2,1-2H3,(H,13,16)
InChIKeyZNCQOLBMNKTYBM-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.62
Rot. Bonds4

About 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione

1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64879110) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64879110
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NCC(=O)N1CC(F)F
InChIInChI=1S/C10H16F2N2O2/c1-6(2)3-7-10(16)13-4-9(15)14(7)5-8(11)12/h6-8H,3-5H2,1-2H3,(H,13,16)
InChIKeyZNCQOLBMNKTYBM-UHFFFAOYSA-N
XLogP0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione (CID 64879110) is 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1C(=O)NCC(=O)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is ZNCQOLBMNKTYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-6(2)3-7-10(16)13-4-9(15)14(7)5-8(11)12/h6-8H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione?
1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 234.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64879110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).