bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium

C10H20F6N2O4S2 — CID 141091350

IUPACbis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium
SMILESCCCC[NH+](C)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H19N.C2F6NO4S2/c1-4-6-8-9(3)7-5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-8H2,1-3H3;/q;-1/p+1
InChIKeyRJFDFXPYHRNLSQ-UHFFFAOYSA-O
MW410.40 g/mol
LogP1.77
Rot. Bonds7

About bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium

bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium (PubChem CID 141091350) has the molecular formula C10H20F6N2O4S2 and a molecular weight of 410.40 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium
PubChem CID141091350
Molecular FormulaC10H20F6N2O4S2
Molecular Weight410.40 g/mol
Exact Mass410.08
IUPAC Namebis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium
SMILESCCCC[NH+](C)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H19N.C2F6NO4S2/c1-4-6-8-9(3)7-5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-8H2,1-3H3;/q;-1/p+1
InChIKeyRJFDFXPYHRNLSQ-UHFFFAOYSA-O
XLogP1.77
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium (CID 141091350) is bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium is CCCC[NH+](C)CCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium?
The InChIKey is RJFDFXPYHRNLSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N.C2F6NO4S2/c1-4-6-8-9(3)7-5-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-8H2,1-3H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium?
bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium has a molecular weight of 410.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;butyl-methyl-propylazanium is sourced from PubChem (CID 141091350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).