bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium

C16H27F6N3O4S2 — CID 12040509

IUPACbis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium
SMILESCCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1
InChIKeyZYVGZWFCGPUVSH-UHFFFAOYSA-N
MW503.53 g/mol
LogP4.51
Rot. Bonds11

About bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium

bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium (PubChem CID 12040509) has the molecular formula C16H27F6N3O4S2 and a molecular weight of 503.53 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium
PubChem CID12040509
Molecular FormulaC16H27F6N3O4S2
Molecular Weight503.53 g/mol
Exact Mass503.13
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium
SMILESCCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1
InChIKeyZYVGZWFCGPUVSH-UHFFFAOYSA-N
XLogP4.51
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium (CID 12040509) is bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium is CCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium?
The InChIKey is ZYVGZWFCGPUVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2.C2F6NO4S2/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12-14H,3-11H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium?
bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium has a molecular weight of 503.53 g/mol, XLogP of 4.51, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;1-decyl-3-methylimidazol-3-ium is sourced from PubChem (CID 12040509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).