1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione

C13H22F2N2O2 — CID 64885779

IUPAC1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)F
InChIInChI=1S/C13H22F2N2O2/c1-4-7-9-11(18)16-13(5-2,6-3)12(19)17(9)8-10(14)15/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeySVULOXQNJIGVHY-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.94
Rot. Bonds6

About 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione

1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione (PubChem CID 64885779) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
PubChem CID64885779
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)F
InChIInChI=1S/C13H22F2N2O2/c1-4-7-9-11(18)16-13(5-2,6-3)12(19)17(9)8-10(14)15/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeySVULOXQNJIGVHY-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.94
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)-3,3-diethyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione (CID 64885779) is 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC)(CC)C(=O)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione?
The InChIKey is SVULOXQNJIGVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-4-7-9-11(18)16-13(5-2,6-3)12(19)17(9)8-10(14)15/h9-10H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione?
1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione has a molecular weight of 276.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64885779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).