bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium

C10H21F6N3O4S2 — CID 15606297

IUPACbis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCN(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H21N2.C2F6NO4S2/c1-6-10(4,5)8-7-9(2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H2,1-5H3;/q+1;-1
InChIKeyBAMWKKXXQJBDQO-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.70
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium

bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium (PubChem CID 15606297) has the molecular formula C10H21F6N3O4S2 and a molecular weight of 425.42 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium
PubChem CID15606297
Molecular FormulaC10H21F6N3O4S2
Molecular Weight425.42 g/mol
Exact Mass425.09
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CCN(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H21N2.C2F6NO4S2/c1-6-10(4,5)8-7-9(2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H2,1-5H3;/q+1;-1
InChIKeyBAMWKKXXQJBDQO-UHFFFAOYSA-N
XLogP1.70
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium (CID 15606297) is bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium is CC[N+](C)(C)CCN(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium?
The InChIKey is BAMWKKXXQJBDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N2.C2F6NO4S2/c1-6-10(4,5)8-7-9(2)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H2,1-5H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium?
bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium has a molecular weight of 425.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;2-(dimethylamino)ethyl-ethyl-dimethylazanium is sourced from PubChem (CID 15606297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).