bis(trifluoromethylsulfonyl)azanide;hexylazanium

C8H16F6N2O4S2 — CID 141148407

IUPACbis(trifluoromethylsulfonyl)azanide;hexylazanium
SMILESCCCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H15N.C2F6NO4S2/c1-2-3-4-5-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-7H2,1H3;/q;-1/p+1
InChIKeyGZLQCAPGQNOXQW-UHFFFAOYSA-O
MW382.35 g/mol
LogP1.87
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;hexylazanium

bis(trifluoromethylsulfonyl)azanide;hexylazanium (PubChem CID 141148407) has the molecular formula C8H16F6N2O4S2 and a molecular weight of 382.35 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;hexylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;hexylazanium
PubChem CID141148407
Molecular FormulaC8H16F6N2O4S2
Molecular Weight382.35 g/mol
Exact Mass382.05
IUPAC Namebis(trifluoromethylsulfonyl)azanide;hexylazanium
SMILESCCCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H15N.C2F6NO4S2/c1-2-3-4-5-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-7H2,1H3;/q;-1/p+1
InChIKeyGZLQCAPGQNOXQW-UHFFFAOYSA-O
XLogP1.87
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-{6-[(methylsulfonyl)amino]hexyl}methanesulfonamide
CID 1752606
N-Hexylperfluorobutanesulfonamide
CID 85868528
N-dodecyl-1,1,1-trifluoromethanesulfonamide
CID 87227510
1,1,1-trifluoro-N-hexylmethanesulfonamide
CID 58427693
1,1,1-trifluoro-N-hexyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87353134
N-decyl-1,1,1-trifluoromethanesulfonamide
CID 87227692
1,1,1-trifluoro-N-[7-(trifluoromethylsulfonylamino)heptyl]methanesulfonamide
CID 14663465
N-(7,7,7-trifluoroheptyl)methanesulfonamide
CID 138981048
1,1,1-trifluoro-N-octylmethanesulfonamide
CID 54527163
1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanyl-N-tridecylpropane-1-sulfonamide
CID 58833888
N-dodecyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58962026
N-dodecyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58962027

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;hexylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;hexylazanium (CID 141148407) is bis(trifluoromethylsulfonyl)azanide;hexylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;hexylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;hexylazanium is CCCCCC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;hexylazanium?
The InChIKey is GZLQCAPGQNOXQW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N.C2F6NO4S2/c1-2-3-4-5-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-7H2,1H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;hexylazanium?
bis(trifluoromethylsulfonyl)azanide;hexylazanium has a molecular weight of 382.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;hexylazanium is sourced from PubChem (CID 141148407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).