4-(2,2,2-trifluoroacetyl)piperazin-2-one

C6H7F3N2O2 — CID 62733743

IUPAC4-(2,2,2-trifluoroacetyl)piperazin-2-one
SMILESO=C1CN(C(=O)C(F)(F)F)CCN1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)5(13)11-2-1-10-4(12)3-11/h1-3H2,(H,10,12)
InChIKeyXCGDLLUEFYMKAG-UHFFFAOYSA-N
MW196.13 g/mol
LogP-0.49
Rot. Bonds

About 4-(2,2,2-trifluoroacetyl)piperazin-2-one

4-(2,2,2-trifluoroacetyl)piperazin-2-one (PubChem CID 62733743) has the molecular formula C6H7F3N2O2 and a molecular weight of 196.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroacetyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoroacetyl)piperazin-2-one
PubChem CID62733743
Molecular FormulaC6H7F3N2O2
Molecular Weight196.13 g/mol
Exact Mass196.05
IUPAC Name4-(2,2,2-trifluoroacetyl)piperazin-2-one
SMILESO=C1CN(C(=O)C(F)(F)F)CCN1
InChIInChI=1S/C6H7F3N2O2/c7-6(8,9)5(13)11-2-1-10-4(12)3-11/h1-3H2,(H,10,12)
InChIKeyXCGDLLUEFYMKAG-UHFFFAOYSA-N
XLogP-0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroacetyl)piperazin-2-one?
The IUPAC name of 4-(2,2,2-trifluoroacetyl)piperazin-2-one (CID 62733743) is 4-(2,2,2-trifluoroacetyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2,2-trifluoroacetyl)piperazin-2-one?
The canonical SMILES for 4-(2,2,2-trifluoroacetyl)piperazin-2-one is O=C1CN(C(=O)C(F)(F)F)CCN1.
What is the InChIKey of 4-(2,2,2-trifluoroacetyl)piperazin-2-one?
The InChIKey is XCGDLLUEFYMKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O2/c7-6(8,9)5(13)11-2-1-10-4(12)3-11/h1-3H2,(H,10,12).
What are the key properties of 4-(2,2,2-trifluoroacetyl)piperazin-2-one?
4-(2,2,2-trifluoroacetyl)piperazin-2-one has a molecular weight of 196.13 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroacetyl)piperazin-2-one is sourced from PubChem (CID 62733743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).