2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine

C9F18N2 — CID 129188952

IUPAC2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine
SMILESFC(=C(F)C(F)(F)F)N1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C9F18N2/c10-1(3(12,13)14)2(11)28-6(20,21)8(24,25)29(5(18,19)4(15,16)17)9(26,27)7(28,22)23
InChIKeyUSRKUQAHAIRUOZ-UHFFFAOYSA-N
MW478.08 g/mol
LogP5.80
Rot. Bonds2

About 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine

2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine (PubChem CID 129188952) has the molecular formula C9F18N2 and a molecular weight of 478.08 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine
PubChem CID129188952
Molecular FormulaC9F18N2
Molecular Weight478.08 g/mol
Exact Mass477.98
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine
SMILESFC(=C(F)C(F)(F)F)N1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C9F18N2/c10-1(3(12,13)14)2(11)28-6(20,21)8(24,25)29(5(18,19)4(15,16)17)9(26,27)7(28,22)23
InChIKeyUSRKUQAHAIRUOZ-UHFFFAOYSA-N
XLogP5.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.08
LogP ≤ 55.80
H-Bond Donors ≤ 50
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 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine (CID 129188952) is 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine is FC(=C(F)C(F)(F)F)N1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine?
The InChIKey is USRKUQAHAIRUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18N2/c10-1(3(12,13)14)2(11)28-6(20,21)8(24,25)29(5(18,19)4(15,16)17)9(26,27)7(28,22)23.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine?
2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine has a molecular weight of 478.08 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine is sourced from PubChem (CID 129188952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).