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

C8H4F18N2O4S2 — CID 11180926

IUPACazanium 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.[NH4+]
InChIInChI=1S/C8F18NO4S2.H3N/c9-1(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;/h;1H3/q-1;/p+1
InChIKeyFKHBGGZSNWYVBI-UHFFFAOYSA-O
MW598.23 g/mol
LogP5.25
Rot. Bonds8

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

azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (PubChem CID 11180926) has the molecular formula C8H4F18N2O4S2 and a molecular weight of 598.23 g/mol. Its IUPAC name is azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.

Molecular Properties

Compound Nameazanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
PubChem CID11180926
Molecular FormulaC8H4F18N2O4S2
Molecular Weight598.23 g/mol
Exact Mass597.93
IUPAC Nameazanium 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.[NH4+]
InChIInChI=1S/C8F18NO4S2.H3N/c9-1(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;/h;1H3/q-1;/p+1
InChIKeyFKHBGGZSNWYVBI-UHFFFAOYSA-O
XLogP5.25
TPSA118.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.23
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Potassium bis(nonafluorobutanesulfonyl)imide
CID 11319533
1,1,2,2,3,3,4,4,4-Nonafluoro-N-((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)-1-butanesulfonamide
CID 10211210
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Lithium Bis(1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonyl)imide
CID 14876273
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Octafluorobutane-1,4-disulfonamide
CID 11631855
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-((perfluorohexyl)sulfonyl)hexane-1-sulfonamide
CID 10898051
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058
1,1,2,2,3,3,4,4,5,5,5-Undecafluoro-N-((perfluoropentyl)sulfonyl)pentane-1-sulfonamide
CID 88203921
Sodium Bis(nonafluorobutanesulfonyl)imide
CID 10930074
Perfluorooctane-1,8-disulfonamide
CID 57845892

Frequently Asked Questions

What is the IUPAC name of azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The IUPAC name of azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (CID 11180926) is azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.
What is the SMILES notation for azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The canonical SMILES for azanium 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.[NH4+].
What is the InChIKey of azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The InChIKey is FKHBGGZSNWYVBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8F18NO4S2.H3N/c9-1(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;/h;1H3/q-1;/p+1.
What are the key properties of azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide has a molecular weight of 598.23 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is sourced from PubChem (CID 11180926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).