4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one

C11H17F3N2O2 — CID 126750449

IUPAC4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESCC(C)(C)C(=O)N1CCN(CC(F)(F)F)C(=O)C1
InChIInChI=1S/C11H17F3N2O2/c1-10(2,3)9(18)15-4-5-16(8(17)6-15)7-11(12,13)14/h4-7H2,1-3H3
InChIKeyPGRNEZHHXLDWSO-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.27
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one

4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one (PubChem CID 126750449) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one
PubChem CID126750449
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESCC(C)(C)C(=O)N1CCN(CC(F)(F)F)C(=O)C1
InChIInChI=1S/C11H17F3N2O2/c1-10(2,3)9(18)15-4-5-16(8(17)6-15)7-11(12,13)14/h4-7H2,1-3H3
InChIKeyPGRNEZHHXLDWSO-UHFFFAOYSA-N
XLogP1.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one (CID 126750449) is 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one is CC(C)(C)C(=O)N1CCN(CC(F)(F)F)C(=O)C1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one?
The InChIKey is PGRNEZHHXLDWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-10(2,3)9(18)15-4-5-16(8(17)6-15)7-11(12,13)14/h4-7H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one?
4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one has a molecular weight of 266.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-1-(2,2,2-trifluoroethyl)piperazin-2-one is sourced from PubChem (CID 126750449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).