1-nitroso-4-(2,2,2-trifluoroethyl)piperazine

C6H10F3N3O — CID 86708413

IUPAC1-nitroso-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=NN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)5-11-1-3-12(10-13)4-2-11/h1-5H2
InChIKeySOKKPDGDBGAFCB-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.85
Rot. Bonds2

About 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine

1-nitroso-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 86708413) has the molecular formula C6H10F3N3O and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-nitroso-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID86708413
Molecular FormulaC6H10F3N3O
Molecular Weight197.16 g/mol
Exact Mass197.08
IUPAC Name1-nitroso-4-(2,2,2-trifluoroethyl)piperazine
SMILESO=NN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)5-11-1-3-12(10-13)4-2-11/h1-5H2
InChIKeySOKKPDGDBGAFCB-UHFFFAOYSA-N
XLogP0.85
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine (CID 86708413) is 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine is O=NN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is SOKKPDGDBGAFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O/c7-6(8,9)5-11-1-3-12(10-13)4-2-11/h1-5H2.
What are the key properties of 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine?
1-nitroso-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 197.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 86708413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).