piperazin-2-one;2,2,2-trifluoroacetohydrazide

C6H11F3N4O2 — CID 175168184

IUPACpiperazin-2-one;2,2,2-trifluoroacetohydrazide
SMILESNNC(=O)C(F)(F)F.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C2H3F3N2O/c7-4-3-5-1-2-6-4;3-2(4,5)1(8)7-6/h5H,1-3H2,(H,6,7);6H2,(H,7,8)
InChIKeyKSESBOLHAWSWSX-UHFFFAOYSA-N
MW228.17 g/mol
LogP-1.76
Rot. Bonds

About piperazin-2-one;2,2,2-trifluoroacetohydrazide

piperazin-2-one;2,2,2-trifluoroacetohydrazide (PubChem CID 175168184) has the molecular formula C6H11F3N4O2 and a molecular weight of 228.17 g/mol. Its IUPAC name is piperazin-2-one;2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound Namepiperazin-2-one;2,2,2-trifluoroacetohydrazide
PubChem CID175168184
Molecular FormulaC6H11F3N4O2
Molecular Weight228.17 g/mol
Exact Mass228.08
IUPAC Namepiperazin-2-one;2,2,2-trifluoroacetohydrazide
SMILESNNC(=O)C(F)(F)F.O=C1CNCCN1
InChIInChI=1S/C4H8N2O.C2H3F3N2O/c7-4-3-5-1-2-6-4;3-2(4,5)1(8)7-6/h5H,1-3H2,(H,6,7);6H2,(H,7,8)
InChIKeyKSESBOLHAWSWSX-UHFFFAOYSA-N
XLogP-1.76
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperazin-2-one;2,2,2-trifluoroacetohydrazide?
The IUPAC name of piperazin-2-one;2,2,2-trifluoroacetohydrazide (CID 175168184) is piperazin-2-one;2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for piperazin-2-one;2,2,2-trifluoroacetohydrazide?
The canonical SMILES for piperazin-2-one;2,2,2-trifluoroacetohydrazide is NNC(=O)C(F)(F)F.O=C1CNCCN1.
What is the InChIKey of piperazin-2-one;2,2,2-trifluoroacetohydrazide?
The InChIKey is KSESBOLHAWSWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.C2H3F3N2O/c7-4-3-5-1-2-6-4;3-2(4,5)1(8)7-6/h5H,1-3H2,(H,6,7);6H2,(H,7,8).
What are the key properties of piperazin-2-one;2,2,2-trifluoroacetohydrazide?
piperazin-2-one;2,2,2-trifluoroacetohydrazide has a molecular weight of 228.17 g/mol, XLogP of -1.76, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-one;2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 175168184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).