bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium

C14H28F6N2O4S2 — CID 141376230

IUPACbis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H28N.C2F6NO4S2/c1-5-9-13(10-6-2,11-7-3)12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-12H2,1-4H3;/q+1;-1
InChIKeyMTGFSZLZUUOLNB-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.50
Rot. Bonds10

About bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium

bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium (PubChem CID 141376230) has the molecular formula C14H28F6N2O4S2 and a molecular weight of 466.51 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
PubChem CID141376230
Molecular FormulaC14H28F6N2O4S2
Molecular Weight466.51 g/mol
Exact Mass466.14
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H28N.C2F6NO4S2/c1-5-9-13(10-6-2,11-7-3)12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-12H2,1-4H3;/q+1;-1
InChIKeyMTGFSZLZUUOLNB-UHFFFAOYSA-N
XLogP4.50
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880
bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
CID 175748915
bis(trifluoromethylsulfonyl)azanide;didecyl-methyl-octylazanium
CID 175748919
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
CID 166133392
bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium
CID 153323838
bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
CID 141217234
bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium (CID 141376230) is bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium?
The InChIKey is MTGFSZLZUUOLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N.C2F6NO4S2/c1-5-9-13(10-6-2,11-7-3)12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-12H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium?
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium has a molecular weight of 466.51 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium is sourced from PubChem (CID 141376230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).