3-(2,2,2-trifluoroethyl)piperazin-2-one

C6H9F3N2O — CID 55253120

IUPAC3-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESO=C1NCCNC1CC(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-4-5(12)11-2-1-10-4/h4,10H,1-3H2,(H,11,12)
InChIKeyCXBPUPPVBUBBKP-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.03
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)piperazin-2-one

3-(2,2,2-trifluoroethyl)piperazin-2-one (PubChem CID 55253120) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)piperazin-2-one
PubChem CID55253120
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name3-(2,2,2-trifluoroethyl)piperazin-2-one
SMILESO=C1NCCNC1CC(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-4-5(12)11-2-1-10-4/h4,10H,1-3H2,(H,11,12)
InChIKeyCXBPUPPVBUBBKP-UHFFFAOYSA-N
XLogP0.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)piperazin-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethyl)piperazin-2-one (CID 55253120) is 3-(2,2,2-trifluoroethyl)piperazin-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)piperazin-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)piperazin-2-one is O=C1NCCNC1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)piperazin-2-one?
The InChIKey is CXBPUPPVBUBBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)3-4-5(12)11-2-1-10-4/h4,10H,1-3H2,(H,11,12).
What are the key properties of 3-(2,2,2-trifluoroethyl)piperazin-2-one?
3-(2,2,2-trifluoroethyl)piperazin-2-one has a molecular weight of 182.14 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)piperazin-2-one is sourced from PubChem (CID 55253120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).