bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium

C11H22F6N2O4S2 — CID 141081539

IUPACbis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium
SMILESCCCCCCC[NH2+]CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H21N.C2F6NO4S2/c1-3-5-6-7-8-9-10-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,3-9H2,1-2H3;/q;-1/p+1
InChIKeyZCFDOXHQVLEKDW-UHFFFAOYSA-O
MW424.43 g/mol
LogP2.60
Rot. Bonds9

About bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium

bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium (PubChem CID 141081539) has the molecular formula C11H22F6N2O4S2 and a molecular weight of 424.43 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium
PubChem CID141081539
Molecular FormulaC11H22F6N2O4S2
Molecular Weight424.43 g/mol
Exact Mass424.09
IUPAC Namebis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium
SMILESCCCCCCC[NH2+]CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H21N.C2F6NO4S2/c1-3-5-6-7-8-9-10-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,3-9H2,1-2H3;/q;-1/p+1
InChIKeyZCFDOXHQVLEKDW-UHFFFAOYSA-O
XLogP2.60
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-n-heptylammonium-bis(trifluoromethylsulfonyl) amide
CID 25172828
Triethylhexylammonium bis(trifluoromethylsulfonyl)imide
CID 129816533
Triethyl-n-heptylammonium-bis(trifluoromethylsulfonyl) amide
CID 134716486
1,1,1-trifluoro-N-[7-(trifluoromethylsulfonylamino)heptyl]methanesulfonamide
CID 14663465
Trioctylammonium bis(trifluoromethylsulfonyl)imide
CID 87764843
Dimethylhexylisopropylethylammonium bis(trifluoromethylsulfonyl)imide
CID 134716479
Dimethyldecylisopropylethylammonium bis(trifluoromethylsulfonyl)imide
CID 134716522
Tri-n-heptylammonium bis(trifluoromethylsulfonyl) amide
CID 134716538
1,1,1-trifluoro-N-methyl-N-[(2R)-4-[7-[[(3R)-3-[methyl(trifluoromethylsulfonyl)amino]butyl]amino]heptylamino]butan-2-yl]methanesulfonamide
CID 134884384
Dodecyldimethylammonium bis(trifluoromethylsulfonyl)imide
CID 156613289
N-[(3R)-3-aminoheptyl]-1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
CID 162416662
Tripropylammonium bis(trifluoromethanesulfonyl)imide
CID 166451231

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium (CID 141081539) is bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium is CCCCCCC[NH2+]CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium?
The InChIKey is ZCFDOXHQVLEKDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21N.C2F6NO4S2/c1-3-5-6-7-8-9-10-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,3-9H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium?
bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium has a molecular weight of 424.43 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;ethyl(heptyl)azanium is sourced from PubChem (CID 141081539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).