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

C9H14F2N2O2 — CID 64880826

IUPAC1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1CC(F)F
InChIInChI=1S/C9H14F2N2O2/c1-2-3-6-9(15)12-4-8(14)13(6)5-7(10)11/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyKAJJTEAUUGPUGE-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.38
Rot. Bonds4

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

1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione (PubChem CID 64880826) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
PubChem CID64880826
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1CC(F)F
InChIInChI=1S/C9H14F2N2O2/c1-2-3-6-9(15)12-4-8(14)13(6)5-7(10)11/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyKAJJTEAUUGPUGE-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.38
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-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione (CID 64880826) is 1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione?
The InChIKey is KAJJTEAUUGPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-2-3-6-9(15)12-4-8(14)13(6)5-7(10)11/h6-7H,2-5H2,1H3,(H,12,15).
What are the key properties of 1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione?
1-(2,2-difluoroethyl)-6-propylpiperazine-2,5-dione has a molecular weight of 220.22 g/mol, XLogP of 0.38, 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-propylpiperazine-2,5-dione is sourced from PubChem (CID 64880826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).