Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium

Name: Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₂₄F₆N₂O₄S₂ — CID 134716423

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

IUPACbis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium

SMILESCCC[NH+](C(C)C)C(C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

InChIInChI=1S/C10H23N.C2F6NO4S2/c1-7-8-11(9(2)3)10(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,7-8H2,1-6H3;/q;-1/p+1

InChIKeyJZHQDNRXONOHSB-UHFFFAOYSA-O

MW438.46 g/mol

LogP2.55

Rot. Bonds5

About Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium

Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium (PubChem CID 134716423) has the molecular formula C₁₂H₂₄F₆N₂O₄S₂ and a molecular weight of 438.46 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium.

Molecular Properties

Compound Name	Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium
PubChem CID	134716423
Molecular Formula	C₁₂H₂₄F₆N₂O₄S₂
Molecular Weight	438.46 g/mol
Exact Mass	438.11
IUPAC Name	bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium
SMILES	CCC[NH+](C(C)C)C(C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C10H23N.C2F6NO4S2/c1-7-8-11(9(2)3)10(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,7-8H2,1-6H3;/q;-1/p+1
InChIKey	JZHQDNRXONOHSB-UHFFFAOYSA-O
XLogP	2.55
TPSA	86.82 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium?

The IUPAC name of Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium (CID 134716423) is bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium.

What is the SMILES notation for Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium?

The canonical SMILES for Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium is CCC[NH+](C(C)C)C(C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium?

The InChIKey is JZHQDNRXONOHSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H23N.C2F6NO4S2/c1-7-8-11(9(2)3)10(4,5)6;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,7-8H2,1-6H3;/q;-1/p+1.

What are the key properties of Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium?

Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium has a molecular weight of 438.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(trifluoromethylsulfonyl)azanide;tert-butyl-propan-2-yl-propylazanium is sourced from PubChem (CID 134716423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 134716423 — identifiers, structure, computed properties (public domain)

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