bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium

C9H16F6N2O4S2 — CID 53316417

IUPACbis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium
SMILESCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H16N.C2F6NO4S2/c1-3-8(2)6-4-5-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H2,1-2H3;/q+1;-1
InChIKeyBRVHCCPVIILNPA-UHFFFAOYSA-N
MW394.36 g/mol
LogP2.31
Rot. Bonds3

About bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium (PubChem CID 53316417) has the molecular formula C9H16F6N2O4S2 and a molecular weight of 394.36 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium
PubChem CID53316417
Molecular FormulaC9H16F6N2O4S2
Molecular Weight394.36 g/mol
Exact Mass394.05
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium
SMILESCC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H16N.C2F6NO4S2/c1-3-8(2)6-4-5-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H2,1-2H3;/q+1;-1
InChIKeyBRVHCCPVIILNPA-UHFFFAOYSA-N
XLogP2.31
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium (CID 53316417) is bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium is CC[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-ethyl-1-methylpyrrolidin-1-ium?
The InChIKey is BRVHCCPVIILNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.C2F6NO4S2/c1-3-8(2)6-4-5-7-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-7H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium has a molecular weight of 394.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 53316417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).