bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium

C16H26F6N2O4S2 — CID 141234405

IUPACbis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium
SMILESCCCCCCC[N+]1(CC)C=CC=CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H26N.C2F6NO4S2/c1-3-5-6-7-9-12-15(4-2)13-10-8-11-14-15;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8,10-11,13H,3-7,9,12,14H2,1-2H3;/q+1;-1
InChIKeyBDDWHOOHBDWFHG-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.94
Rot. Bonds9

About bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium

bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium (PubChem CID 141234405) has the molecular formula C16H26F6N2O4S2 and a molecular weight of 488.52 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium
PubChem CID141234405
Molecular FormulaC16H26F6N2O4S2
Molecular Weight488.52 g/mol
Exact Mass488.12
IUPAC Namebis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium
SMILESCCCCCCC[N+]1(CC)C=CC=CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H26N.C2F6NO4S2/c1-3-5-6-7-9-12-15(4-2)13-10-8-11-14-15;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8,10-11,13H,3-7,9,12,14H2,1-2H3;/q+1;-1
InChIKeyBDDWHOOHBDWFHG-UHFFFAOYSA-N
XLogP4.94
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.94
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

bis(trifluoromethylsulfonyl)azanide;1-heptyl-1-propyl-2H-pyridin-1-ium
CID 141234390
1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59046742
bis(trifluoromethylsulfonyl)azanide;triheptylazanium
CID 134716538
bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium
CID 158388046
bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
CID 175748915
bis(trifluoromethylsulfonyl)azanide;didecyl-methyl-octylazanium
CID 175748919
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584
CID 175985522
CID 175985522
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-hexyl-1-methylpiperidin-1-ium
CID 141351001
bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium
CID 140880035
bis(bis(trifluoromethylsulfonyl)azanide);1-hexadecyl-4-(1-hexadecylpyridin-1-ium-4-yl)pyridin-1-ium
CID 162511778

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium (CID 141234405) is bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium is CCCCCCC[N+]1(CC)C=CC=CC1.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-heptyl-2H-pyridin-1-ium?
The InChIKey is BDDWHOOHBDWFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N.C2F6NO4S2/c1-3-5-6-7-9-12-15(4-2)13-10-8-11-14-15;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h8,10-11,13H,3-7,9,12,14H2,1-2H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium?
bis(trifluoromethylsulfonyl)azanide;1-ethyl-1-heptyl-2H-pyridin-1-ium has a molecular weight of 488.52 g/mol, XLogP of 4.94, 9 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-heptyl-2H-pyridin-1-ium is sourced from PubChem (CID 141234405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).