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

C6H10F3IN2 — CID 118612429

IUPAC1-iodo-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(I)CC1
InChIInChI=1S/C6H10F3IN2/c7-6(8,9)5-11-1-3-12(10)4-2-11/h1-5H2
InChIKeyDXPUVGPASBTPBK-UHFFFAOYSA-N
MW294.06 g/mol
LogP1.52
Rot. Bonds1

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

1-iodo-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 118612429) has the molecular formula C6H10F3IN2 and a molecular weight of 294.06 g/mol. Its IUPAC name is 1-iodo-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-iodo-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID118612429
Molecular FormulaC6H10F3IN2
Molecular Weight294.06 g/mol
Exact Mass293.98
IUPAC Name1-iodo-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(I)CC1
InChIInChI=1S/C6H10F3IN2/c7-6(8,9)5-11-1-3-12(10)4-2-11/h1-5H2
InChIKeyDXPUVGPASBTPBK-UHFFFAOYSA-N
XLogP1.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.06
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-iodo-4-(2,2,2-trifluoroethyl)piperazine (CID 118612429) is 1-iodo-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-iodo-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-iodo-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(I)CC1.
What is the InChIKey of 1-iodo-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is DXPUVGPASBTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3IN2/c7-6(8,9)5-11-1-3-12(10)4-2-11/h1-5H2.
What are the key properties of 1-iodo-4-(2,2,2-trifluoroethyl)piperazine?
1-iodo-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 294.06 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 118612429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).