bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium

C16H32F6N2O4S2 — CID 121235740

IUPACbis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium
SMILESCCCCCCCC[N+](CC)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H32N.C2F6NO4S2/c1-5-9-10-11-12-13-14-15(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-14H2,1-4H3;/q+1;-1
InChIKeySBBLWFHKFTVQAB-UHFFFAOYSA-N
MW494.56 g/mol
LogP5.28
Rot. Bonds12

About bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium

bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium (PubChem CID 121235740) has the molecular formula C16H32F6N2O4S2 and a molecular weight of 494.56 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium
PubChem CID121235740
Molecular FormulaC16H32F6N2O4S2
Molecular Weight494.56 g/mol
Exact Mass494.17
IUPAC Namebis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium
SMILESCCCCCCCC[N+](CC)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H32N.C2F6NO4S2/c1-5-9-10-11-12-13-14-15(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-14H2,1-4H3;/q+1;-1
InChIKeySBBLWFHKFTVQAB-UHFFFAOYSA-N
XLogP5.28
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyltricaprylylammonium bistriflamide
CID 16211009
Methyltricaprylylammonium triflate
CID 22678982
Tetrabutylammonium heptadecafluorooctanesulfonate
CID 16218638
1-Decanaminium, N-decyl-N,N-dimethyl-, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate (1:1)
CID 92038711
Tetrabutylammonium bis-trifluoromethanesulfonimidate
CID 16218632
1-Methyl-1-n-octylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 54613093
N,N,N-Tripropylpentan-1-aminium heptadecafluorooctane-1-sulfonate
CID 21418851
N-Methyl-N,N-dioctyl-1-octanaminium perfluoro-1-butanesulfonate
CID 22678981
Hexyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991990
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
1-Hexyl-1-methylpyrrolidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 86681565
N,N,N-Triethyldecan-1-aminium heptadecafluorooctane-1-sulfonate
CID 127262860

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium (CID 121235740) is bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium is CCCCCCCC[N+](CC)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium?
The InChIKey is SBBLWFHKFTVQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N.C2F6NO4S2/c1-5-9-10-11-12-13-14-15(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-14H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium?
bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium has a molecular weight of 494.56 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;triethyl(octyl)azanium is sourced from PubChem (CID 121235740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).