bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium

C11H22F6N2O4S2 — CID 140912340

IUPACbis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H22N.C2F6NO4S2/c1-5-7-8-9-10(3,4)6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H2,1-4H3;/q+1;-1
InChIKeyIXZILXBNJBRBBP-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.33
Rot. Bonds7

About bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium

bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium (PubChem CID 140912340) has the molecular formula C11H22F6N2O4S2 and a molecular weight of 424.43 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
PubChem CID140912340
Molecular FormulaC11H22F6N2O4S2
Molecular Weight424.43 g/mol
Exact Mass424.09
IUPAC Namebis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H22N.C2F6NO4S2/c1-5-7-8-9-10(3,4)6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H2,1-4H3;/q+1;-1
InChIKeyIXZILXBNJBRBBP-UHFFFAOYSA-N
XLogP3.33
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880
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)phosphane;ethyl-hexyl-dimethylazanium
CID 162622861
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium
CID 159239563
bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
CID 141217234
bis(trifluoromethylsulfonyl)azanide;dodecyl-ethyl-bis(2-hydroxyethyl)azanium
CID 166133392
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium (CID 140912340) is bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium is CCCCC[N+](C)(C)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium?
The InChIKey is IXZILXBNJBRBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N.C2F6NO4S2/c1-5-7-8-9-10(3,4)6-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium?
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium has a molecular weight of 424.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium is sourced from PubChem (CID 140912340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).