1-(4,4,5,5,5-pentafluoropentyl)piperazine

C9H15F5N2 — CID 22123614

IUPAC1-(4,4,5,5,5-pentafluoropentyl)piperazine
SMILESFC(F)(F)C(F)(F)CCCN1CCNCC1
InChIInChI=1S/C9H15F5N2/c10-8(11,9(12,13)14)2-1-5-16-6-3-15-4-7-16/h15H,1-7H2
InChIKeyIVJUXLHXKAHGOI-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.87
Rot. Bonds4

About 1-(4,4,5,5,5-pentafluoropentyl)piperazine

1-(4,4,5,5,5-pentafluoropentyl)piperazine (PubChem CID 22123614) has the molecular formula C9H15F5N2 and a molecular weight of 246.22 g/mol. Its IUPAC name is 1-(4,4,5,5,5-pentafluoropentyl)piperazine.

Molecular Properties

Compound Name1-(4,4,5,5,5-pentafluoropentyl)piperazine
PubChem CID22123614
Molecular FormulaC9H15F5N2
Molecular Weight246.22 g/mol
Exact Mass246.12
IUPAC Name1-(4,4,5,5,5-pentafluoropentyl)piperazine
SMILESFC(F)(F)C(F)(F)CCCN1CCNCC1
InChIInChI=1S/C9H15F5N2/c10-8(11,9(12,13)14)2-1-5-16-6-3-15-4-7-16/h15H,1-7H2
InChIKeyIVJUXLHXKAHGOI-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5,5-pentafluoropentyl)piperazine?
The IUPAC name of 1-(4,4,5,5,5-pentafluoropentyl)piperazine (CID 22123614) is 1-(4,4,5,5,5-pentafluoropentyl)piperazine.
What is the SMILES notation for 1-(4,4,5,5,5-pentafluoropentyl)piperazine?
The canonical SMILES for 1-(4,4,5,5,5-pentafluoropentyl)piperazine is FC(F)(F)C(F)(F)CCCN1CCNCC1.
What is the InChIKey of 1-(4,4,5,5,5-pentafluoropentyl)piperazine?
The InChIKey is IVJUXLHXKAHGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5N2/c10-8(11,9(12,13)14)2-1-5-16-6-3-15-4-7-16/h15H,1-7H2.
What are the key properties of 1-(4,4,5,5,5-pentafluoropentyl)piperazine?
1-(4,4,5,5,5-pentafluoropentyl)piperazine has a molecular weight of 246.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5,5-pentafluoropentyl)piperazine is sourced from PubChem (CID 22123614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).