piperazin-2-one;2,2,2-trifluoroacetic acid

C6H9F3N2O3 — CID 67358098

IUPACpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C2HF3O2/c7-4-3-5-1-2-6-4;3-2(4,5)1(6)7/h5H,1-3H2,(H,6,7);(H,6,7)
InChIKeyQHGWRVOSXCSSPO-UHFFFAOYSA-N
MW214.14 g/mol
LogP-0.66
Rot. Bonds

About piperazin-2-one;2,2,2-trifluoroacetic acid

piperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 67358098) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is piperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID67358098
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Namepiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C2HF3O2/c7-4-3-5-1-2-6-4;3-2(4,5)1(6)7/h5H,1-3H2,(H,6,7);(H,6,7)
InChIKeyQHGWRVOSXCSSPO-UHFFFAOYSA-N
XLogP-0.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze piperazin-2-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of piperazin-2-one;2,2,2-trifluoroacetic acid (CID 67358098) is piperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperazin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CNCCN1.
What is the InChIKey of piperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is QHGWRVOSXCSSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.C2HF3O2/c7-4-3-5-1-2-6-4;3-2(4,5)1(6)7/h5H,1-3H2,(H,6,7);(H,6,7).
What are the key properties of piperazin-2-one;2,2,2-trifluoroacetic acid?
piperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 214.14 g/mol, XLogP of -0.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67358098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).