1-(1,1,2,2,2-pentafluoroethyl)piperazine

C6H9F5N2 — CID 24697123

IUPAC1-(1,1,2,2,2-pentafluoroethyl)piperazine
SMILESFC(F)(F)C(F)(F)N1CCNCC1
InChIInChI=1S/C6H9F5N2/c7-5(8,9)6(10,11)13-3-1-12-2-4-13/h12H,1-4H2
InChIKeyWDTWVRPZLLPBQZ-UHFFFAOYSA-N
MW204.14 g/mol
LogP1.05
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)piperazine

1-(1,1,2,2,2-pentafluoroethyl)piperazine (PubChem CID 24697123) has the molecular formula C6H9F5N2 and a molecular weight of 204.14 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)piperazine.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)piperazine
PubChem CID24697123
Molecular FormulaC6H9F5N2
Molecular Weight204.14 g/mol
Exact Mass204.07
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)piperazine
SMILESFC(F)(F)C(F)(F)N1CCNCC1
InChIInChI=1S/C6H9F5N2/c7-5(8,9)6(10,11)13-3-1-12-2-4-13/h12H,1-4H2
InChIKeyWDTWVRPZLLPBQZ-UHFFFAOYSA-N
XLogP1.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)piperazine?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)piperazine (CID 24697123) is 1-(1,1,2,2,2-pentafluoroethyl)piperazine.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)piperazine?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)piperazine is FC(F)(F)C(F)(F)N1CCNCC1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)piperazine?
The InChIKey is WDTWVRPZLLPBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5N2/c7-5(8,9)6(10,11)13-3-1-12-2-4-13/h12H,1-4H2.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)piperazine?
1-(1,1,2,2,2-pentafluoroethyl)piperazine has a molecular weight of 204.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)piperazine is sourced from PubChem (CID 24697123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).