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

C8F16N2 — CID 122636109

IUPAC2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine
SMILESFC(=C(F)C(F)(F)F)N1C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16N2/c9-1(3(11,12)13)2(10)25-4(14,15)6(18,19)26(8(22,23)24)7(20,21)5(25,16)17
InChIKeyAVGQMUZRBXHMTL-UHFFFAOYSA-N
MW428.07 g/mol
LogP5.17
Rot. Bonds1

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

2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine (PubChem CID 122636109) has the molecular formula C8F16N2 and a molecular weight of 428.07 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine
PubChem CID122636109
Molecular FormulaC8F16N2
Molecular Weight428.07 g/mol
Exact Mass427.98
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine
SMILESFC(=C(F)C(F)(F)F)N1C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16N2/c9-1(3(11,12)13)2(10)25-4(14,15)6(18,19)26(8(22,23)24)7(20,21)5(25,16)17
InChIKeyAVGQMUZRBXHMTL-UHFFFAOYSA-N
XLogP5.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.07
LogP ≤ 55.17
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-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine (CID 122636109) is 2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine is FC(=C(F)C(F)(F)F)N1C(F)(F)C(F)(F)N(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-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine?
The InChIKey is AVGQMUZRBXHMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16N2/c9-1(3(11,12)13)2(10)25-4(14,15)6(18,19)26(8(22,23)24)7(20,21)5(25,16)17.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine?
2,2,3,3,5,5,6,6-octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine has a molecular weight of 428.07 g/mol, XLogP of 5.17, 1 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-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 122636109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).