bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium

C29H59ClF6N2O4S2Si — CID 153323838

IUPACbis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium
SMILESCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C[Si](C)(C)Cl.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H59ClNSi.C2F6NO4S2/c1-6-9-12-15-18-21-24-29(27-30(4,5)28,25-22-19-16-13-10-7-2)26-23-20-17-14-11-8-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-27H2,1-5H3;/q+1;-1
InChIKeySSUDRRCWBGFCCS-UHFFFAOYSA-N
MW741.46 g/mol
LogP10.93
Rot. Bonds25

About bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium

bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium (PubChem CID 153323838) has the molecular formula C29H59ClF6N2O4S2Si and a molecular weight of 741.46 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium
PubChem CID153323838
Molecular FormulaC29H59ClF6N2O4S2Si
Molecular Weight741.46 g/mol
Exact Mass740.33
IUPAC Namebis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium
SMILESCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C[Si](C)(C)Cl.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H59ClNSi.C2F6NO4S2/c1-6-9-12-15-18-21-24-29(27-30(4,5)28,25-22-19-16-13-10-7-2)26-23-20-17-14-11-8-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-27H2,1-5H3;/q+1;-1
InChIKeySSUDRRCWBGFCCS-UHFFFAOYSA-N
XLogP10.93
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.46
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[chloro(dimethyl)silyl]methyl-tridodecylazanium
CID 153323824
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;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
CID 166133392
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
CID 141217234
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;triheptylazanium
CID 134716538
decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium (CID 153323838) is bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium is CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)C[Si](C)(C)Cl.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium?
The InChIKey is SSUDRRCWBGFCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59ClNSi.C2F6NO4S2/c1-6-9-12-15-18-21-24-29(27-30(4,5)28,25-22-19-16-13-10-7-2)26-23-20-17-14-11-8-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-27H2,1-5H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium?
bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium has a molecular weight of 741.46 g/mol, XLogP of 10.93, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;[chloro(dimethyl)silyl]methyl-trioctylazanium is sourced from PubChem (CID 153323838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).