Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium

Name: Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₆F₆N₂O₄S₂ — CID 53384372

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACbis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium

SMILESCCCCC[N+](CC)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

InChIInChI=1S/C11H26N.C2F6NO4S2/c1-5-9-10-11-12(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-11H2,1-4H3;/q+1;-1

InChIKeyALYCOCULEAWWJO-UHFFFAOYSA-N

MW452.48 g/mol

LogP4.11

Rot. Bonds9

About Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium

Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium (PubChem CID 53384372) has the molecular formula C₁₃H₂₆F₆N₂O₄S₂ and a molecular weight of 452.48 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium.

Molecular Properties

Compound Name	Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium
PubChem CID	53384372
Molecular Formula	C₁₃H₂₆F₆N₂O₄S₂
Molecular Weight	452.48 g/mol
Exact Mass	452.12
IUPAC Name	bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium
SMILES	CCCCC[N+](CC)(CC)CC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C11H26N.C2F6NO4S2/c1-5-9-10-11-12(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-11H2,1-4H3;/q+1;-1
InChIKey	ALYCOCULEAWWJO-UHFFFAOYSA-N
XLogP	4.11
TPSA	82.38 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium?

The IUPAC name of Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium (CID 53384372) is bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium.

What is the SMILES notation for Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium?

The canonical SMILES for Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium is CCCCC[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(pentyl)azanium?

The InChIKey is ALYCOCULEAWWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N.C2F6NO4S2/c1-5-9-10-11-12(6-2,7-3)8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-11H2,1-4H3;/q+1;-1.

What are the key properties of Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium?

Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium has a molecular weight of 452.48 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(trifluoromethylsulfonyl)azanide;triethyl(pentyl)azanium is sourced from PubChem (CID 53384372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 53384372 — identifiers, structure, computed properties (public domain)

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