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

C8H13FN2O2 — CID 80697906

IUPAC1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCF)C1=O
InChIInChI=1S/C8H13FN2O2/c1-8(2)7(13)11(4-3-9)5-6(12)10-8/h3-5H2,1-2H3,(H,10,12)
InChIKeyYSVJAGJMMVJPQQ-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.31
Rot. Bonds2

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

1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 80697906) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID80697906
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCF)C1=O
InChIInChI=1S/C8H13FN2O2/c1-8(2)7(13)11(4-3-9)5-6(12)10-8/h3-5H2,1-2H3,(H,10,12)
InChIKeyYSVJAGJMMVJPQQ-UHFFFAOYSA-N
XLogP-0.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione (CID 80697906) is 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)CN(CCF)C1=O.
What is the InChIKey of 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is YSVJAGJMMVJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c1-8(2)7(13)11(4-3-9)5-6(12)10-8/h3-5H2,1-2H3,(H,10,12).
What are the key properties of 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione?
1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 188.20 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 80697906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).