1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine

C12H8F16N2O — CID 142605367

About 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine

1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine (PubChem CID 142605367) has the molecular formula C12H8F16N2O and a molecular weight of 500.18 g/mol. Its IUPAC name is 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine.

Molecular Properties

• Compound Name: 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine
• PubChem CID: 142605367
• Molecular Formula: C12H8F16N2O
• Molecular Weight: 500.18 g/mol
• Exact Mass: 500.04
• IUPAC Name: 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine
• SMILES: FC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)N1CCN(C(F)(F)C(F)(F)F)CC1
• InChI: InChI=1S/C12H8F16N2O/c13-5(6(14)15)7(16,17)31-12(27,28)8(18,19)10(23,24)29-1-3-30(4-2-29)11(25,26)9(20,21)22/h1-4H2
• InChIKey: KLADRJLUHYIRML-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.18
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine?

The IUPAC name of 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine (CID 142605367) is 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine.

What is the SMILES notation for 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine?

The canonical SMILES for 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine is FC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)N1CCN(C(F)(F)C(F)(F)F)CC1.

What is the InChIKey of 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine?

The InChIKey is KLADRJLUHYIRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F16N2O/c13-5(6(14)15)7(16,17)31-12(27,28)8(18,19)10(23,24)29-1-3-30(4-2-29)11(25,26)9(20,21)22/h1-4H2.

What are the key properties of 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine?

1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine has a molecular weight of 500.18 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propyl]-4-(1,1,2,2,2-pentafluoroethyl)piperazine is sourced from PubChem (CID 142605367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).