bis(trifluoromethylsulfonyl)azanide;dipropylazanium

C8H16F6N2O4S2 — CID 141081545

IUPACbis(trifluoromethylsulfonyl)azanide;dipropylazanium
SMILESCCC[NH2+]CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H15N.C2F6NO4S2/c1-3-5-7-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,3-6H2,1-2H3;/q;-1/p+1
InChIKeyPHFJYRVQYNLNDW-UHFFFAOYSA-O
MW382.35 g/mol
LogP1.43
Rot. Bonds6

About bis(trifluoromethylsulfonyl)azanide;dipropylazanium

bis(trifluoromethylsulfonyl)azanide;dipropylazanium (PubChem CID 141081545) has the molecular formula C8H16F6N2O4S2 and a molecular weight of 382.35 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;dipropylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;dipropylazanium
PubChem CID141081545
Molecular FormulaC8H16F6N2O4S2
Molecular Weight382.35 g/mol
Exact Mass382.05
IUPAC Namebis(trifluoromethylsulfonyl)azanide;dipropylazanium
SMILESCCC[NH2+]CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H15N.C2F6NO4S2/c1-3-5-7-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,3-6H2,1-2H3;/q;-1/p+1
InChIKeyPHFJYRVQYNLNDW-UHFFFAOYSA-O
XLogP1.43
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.43
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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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;dipropylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;dipropylazanium (CID 141081545) is bis(trifluoromethylsulfonyl)azanide;dipropylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;dipropylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;dipropylazanium is CCC[NH2+]CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;dipropylazanium?
The InChIKey is PHFJYRVQYNLNDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N.C2F6NO4S2/c1-3-5-7-6-4-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,3-6H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;dipropylazanium?
bis(trifluoromethylsulfonyl)azanide;dipropylazanium has a molecular weight of 382.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;dipropylazanium is sourced from PubChem (CID 141081545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).