copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)

C16CuF36N2O8S4 — CID 25185926

IUPACcopper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cu+2]
InChIInChI=1S/2C8F18NO4S2.Cu/c2*9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q2*-1;+2
InChIKeyOVBVNDBYFXZZEY-UHFFFAOYSA-N
MW1223.92 g/mol
LogP9.74
Rot. Bonds16

About copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)

copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide) (PubChem CID 25185926) has the molecular formula C16CuF36N2O8S4 and a molecular weight of 1223.92 g/mol. Its IUPAC name is copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide).

Molecular Properties

Compound Namecopper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)
PubChem CID25185926
Molecular FormulaC16CuF36N2O8S4
Molecular Weight1223.92 g/mol
Exact Mass1222.73
IUPAC Namecopper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cu+2]
InChIInChI=1S/2C8F18NO4S2.Cu/c2*9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q2*-1;+2
InChIKeyOVBVNDBYFXZZEY-UHFFFAOYSA-N
XLogP9.74
TPSA164.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.92
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide) with MolForge

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Related Compounds

sodium bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)azanide
CID 154724969
potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide
CID 154703557
hexalithium;[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethylsulfonylazanidylsulfonyl)butyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonylazanidylsulfonylbutyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 177414090
methoxysulfonyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
CID 140897825
sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 87423860
magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
CID 140785394
sodium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(2,2,3,3,4,4,5,5,5-nonafluoropentanoyl)azanide
CID 171725718
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
CID 152575055
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoroheptadecane-1-sulfonate
CID 23533140
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosane-1-sulfonate
CID 88836150
potassium 1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylazanide
CID 141294936
azane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride;dihydrofluoride
CID 175311052

Frequently Asked Questions

What is the IUPAC name of copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)?
The IUPAC name of copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide) (CID 25185926) is copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide).
What is the SMILES notation for copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)?
The canonical SMILES for copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide) is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cu+2].
What is the InChIKey of copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)?
The InChIKey is OVBVNDBYFXZZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8F18NO4S2.Cu/c2*9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;/q2*-1;+2.
What are the key properties of copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide)?
copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide) has a molecular weight of 1223.92 g/mol, XLogP of 9.74, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide) is sourced from PubChem (CID 25185926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).