1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione

C9H15FN2O2 — CID 80697018

IUPAC1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(CCF)C1=O
InChIInChI=1S/C9H15FN2O2/c1-6-7(13)12(5-4-10)9(2,3)8(14)11-6/h6H,4-5H2,1-3H3,(H,11,14)
InChIKeyWKTNOETVMRAKAT-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.08
Rot. Bonds2

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

1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione (PubChem CID 80697018) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione
PubChem CID80697018
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(CCF)C1=O
InChIInChI=1S/C9H15FN2O2/c1-6-7(13)12(5-4-10)9(2,3)8(14)11-6/h6H,4-5H2,1-3H3,(H,11,14)
InChIKeyWKTNOETVMRAKAT-UHFFFAOYSA-N
XLogP0.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione (CID 80697018) is 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione is CC1NC(=O)C(C)(C)N(CCF)C1=O.
What is the InChIKey of 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The InChIKey is WKTNOETVMRAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-6-7(13)12(5-4-10)9(2,3)8(14)11-6/h6H,4-5H2,1-3H3,(H,11,14).
What are the key properties of 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione?
1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione has a molecular weight of 202.23 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,6,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 80697018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).