bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium

C8H3F11N2O4S2 — CID 162364627

IUPACbis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[NH3+]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5N.C2F6NO4S2/c7-1-2(8)4(10)6(12)5(11)3(1)9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12H2;/q;-1/p+1
InChIKeyPJDMHSGXOQBGLE-UHFFFAOYSA-O
MW464.23 g/mol
LogP2.31
Rot. Bonds2

About bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium

bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium (PubChem CID 162364627) has the molecular formula C8H3F11N2O4S2 and a molecular weight of 464.23 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium
PubChem CID162364627
Molecular FormulaC8H3F11N2O4S2
Molecular Weight464.23 g/mol
Exact Mass463.94
IUPAC Namebis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[NH3+]c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5N.C2F6NO4S2/c7-1-2(8)4(10)6(12)5(11)3(1)9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12H2;/q;-1/p+1
InChIKeyPJDMHSGXOQBGLE-UHFFFAOYSA-O
XLogP2.31
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533
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
CID 11091952
CID 11091952
(2,3,4,5,6-pentafluorophenyl)azanium chloride
CID 139117031
bis(trifluoromethylsulfonyl)azanide;triphenylsulfanium
CID 139203165
bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 87423860
[cyclohexylsulfonyl(difluoro)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 58152944
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium (CID 162364627) is bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[NH3+]c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium?
The InChIKey is PJDMHSGXOQBGLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H2F5N.C2F6NO4S2/c7-1-2(8)4(10)6(12)5(11)3(1)9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12H2;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium?
bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium has a molecular weight of 464.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;(2,3,4,5,6-pentafluorophenyl)azanium is sourced from PubChem (CID 162364627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).