bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium

C8H14F6N2O4S2 — CID 141312811

IUPACbis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
SMILESC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H14N.C2F6NO4S2/c1-7(2)5-3-4-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-6H2,1-2H3;/q+1;-1
InChIKeyBBBSSFZSOUYKLW-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.92
Rot. Bonds2

About bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium (PubChem CID 141312811) has the molecular formula C8H14F6N2O4S2 and a molecular weight of 380.33 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
PubChem CID141312811
Molecular FormulaC8H14F6N2O4S2
Molecular Weight380.33 g/mol
Exact Mass380.03
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
SMILESC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H14N.C2F6NO4S2/c1-7(2)5-3-4-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-6H2,1-2H3;/q+1;-1
InChIKeyBBBSSFZSOUYKLW-UHFFFAOYSA-N
XLogP1.92
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.92
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;1,1-dipropylpyrrolidin-1-ium
CID 140880035
CID 175985522
CID 175985522
tris(bis(trifluoromethylsulfonyl)azanide);ruthenium(3+)
CID 158320833
bis(trifluoromethylsulfonyl)azanide;gold(1+)
CID 102109298
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
bis(trifluoromethylsulfonyl)azanide;1-(2-ethoxyethyl)-1-methylpyrrolidin-1-ium
CID 54613092
bis(trifluoromethylsulfonyl)azanide;tris(1-ethyl-1-methylpiperidin-1-ium);hydroxy-dioxido-sulfanylidene-λ5-phosphane
CID 175701813
magnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);manganese(2+)
CID 163413533
bis(trifluoromethylsulfonyl)azanide;1-[(2-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium
CID 62705237
1,1,4,4-tetramethylpiperazine-1,4-diium;bis(trifluoromethanesulfonate)
CID 87842553
CID 164728429
CID 164728429
1,2-dimethyl-1-propylpiperidin-1-ium;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 157458632

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium (CID 141312811) is bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium is C[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium?
The InChIKey is BBBSSFZSOUYKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.C2F6NO4S2/c1-7(2)5-3-4-6-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-6H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium has a molecular weight of 380.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium is sourced from PubChem (CID 141312811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).