2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide

C16H24F8N6O2 — CID 4578308

IUPAC2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide
SMILESCN1CCN(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NN2CCN(C)CC2)CC1
InChIInChI=1S/C16H24F8N6O2/c1-27-3-7-29(8-4-27)25-11(31)13(17,18)15(21,22)16(23,24)14(19,20)12(32)26-30-9-5-28(2)6-10-30/h3-10H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyQOZXSQLQYKTMOK-UHFFFAOYSA-N
MW484.39 g/mol
LogP0.08
Rot. Bonds7

About 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide

2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide (PubChem CID 4578308) has the molecular formula C16H24F8N6O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide
PubChem CID4578308
Molecular FormulaC16H24F8N6O2
Molecular Weight484.39 g/mol
Exact Mass484.18
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide
SMILESCN1CCN(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NN2CCN(C)CC2)CC1
InChIInChI=1S/C16H24F8N6O2/c1-27-3-7-29(8-4-27)25-11(31)13(17,18)15(21,22)16(23,24)14(19,20)12(32)26-30-9-5-28(2)6-10-30/h3-10H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyQOZXSQLQYKTMOK-UHFFFAOYSA-N
XLogP0.08
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide (CID 4578308) is 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide is CN1CCN(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NN2CCN(C)CC2)CC1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide?
The InChIKey is QOZXSQLQYKTMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F8N6O2/c1-27-3-7-29(8-4-27)25-11(31)13(17,18)15(21,22)16(23,24)14(19,20)12(32)26-30-9-5-28(2)6-10-30/h3-10H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide?
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide has a molecular weight of 484.39 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-methylpiperazin-1-yl)hexanediamide is sourced from PubChem (CID 4578308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).