bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium

C10H18F6N2O4S2 — CID 25171607

IUPACbis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H18N.C2F6NO4S2/c1-3-6-9(2)7-4-5-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1
InChIKeyDKNRELLLVOYIIB-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.70
Rot. Bonds4

About bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium (PubChem CID 25171607) has the molecular formula C10H18F6N2O4S2 and a molecular weight of 408.39 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
PubChem CID25171607
Molecular FormulaC10H18F6N2O4S2
Molecular Weight408.39 g/mol
Exact Mass408.06
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H18N.C2F6NO4S2/c1-3-6-9(2)7-4-5-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1
InChIKeyDKNRELLLVOYIIB-UHFFFAOYSA-N
XLogP2.70
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.70
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

1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 11048104
1-Methyl-1-propylpyrrolidinium trifluoromethanesulfonate
CID 60196396
Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991988
1-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 53316417
Tributylmethylammonium bis(trifluoromethylsulfonyl)imide
CID 44630019
1-Butyl-1-methylpyrrolidinium triflate
CID 12195864
Tetrabutylammonium bis-trifluoromethanesulfonimidate
CID 16218632
1-Methyl-1-n-octylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 54613093
1-Ethyl-1-methylpyrrolidinium trifluoromethanesulfonate
CID 60196393
Tetraethylammonium bistrifluoromethanesulfonimidate
CID 16218644
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
N,N,N-Trimethylpropan-1-aminium bis(trifluoromethanesulfonyl)azanide
CID 53384436

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium (CID 25171607) is bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium is CCC[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-methyl-1-propylpyrrolidin-1-ium?
The InChIKey is DKNRELLLVOYIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.C2F6NO4S2/c1-3-6-9(2)7-4-5-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-8H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium has a molecular weight of 408.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium is sourced from PubChem (CID 25171607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).