3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione

C10H17FN2O2 — CID 80696451

IUPAC3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCF)C1=O
InChIInChI=1S/C10H17FN2O2/c1-4-7-8(14)13(6-5-11)10(2,3)9(15)12-7/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyMMPISKFSIVWUJF-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.47
Rot. Bonds3

About 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione

3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione (PubChem CID 80696451) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
PubChem CID80696451
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCF)C1=O
InChIInChI=1S/C10H17FN2O2/c1-4-7-8(14)13(6-5-11)10(2,3)9(15)12-7/h7H,4-6H2,1-3H3,(H,12,15)
InChIKeyMMPISKFSIVWUJF-UHFFFAOYSA-N
XLogP0.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione (CID 80696451) is 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(CCF)C1=O.
What is the InChIKey of 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is MMPISKFSIVWUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-4-7-8(14)13(6-5-11)10(2,3)9(15)12-7/h7H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione?
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 216.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 80696451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).