bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium

C8H16F6N2O4S2 — CID 158181823

IUPACbis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium
SMILESCC(C)(C)CC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H15N.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5,7H2,1-3H3;/q;-1/p+1
InChIKeyFYRLFXZRIKYVBS-UHFFFAOYSA-O
MW382.35 g/mol
LogP1.72
Rot. Bonds3

About bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium

bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium (PubChem CID 158181823) has the molecular formula C8H16F6N2O4S2 and a molecular weight of 382.35 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium
PubChem CID158181823
Molecular FormulaC8H16F6N2O4S2
Molecular Weight382.35 g/mol
Exact Mass382.05
IUPAC Namebis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium
SMILESCC(C)(C)CC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H15N.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5,7H2,1-3H3;/q;-1/p+1
InChIKeyFYRLFXZRIKYVBS-UHFFFAOYSA-O
XLogP1.72
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R,R) N-(1-tert-Butyl-3,3-dimethyl-2-trifluoromethanesulfonylamino-butyl)-C,C,C-trifluoro-methanesulfonamide
CID 139189975
N-(3,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 58468956
N-butyl-N'-[butylsulfamoyl(difluoro)methyl]sulfonyl-1,1-difluoromethanedisulfonamide
CID 90329014
N-butyl-N'-[butylsulfamoyl(difluoro)methyl]sulfinyl-1,1-difluoromethanedisulfonamide
CID 123312411
Bis(trifluoromethylsulfonyl)azanide;butylazanium
CID 141337356
1,1,1-trifluoro-N-[5-methyl-6-(trifluoromethylsulfonylamino)hexyl]methanesulfonamide
CID 167003100
butan-1-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171929948
1,1,1-trifluoro-N-[2-methyl-3-(trifluoromethylsulfonylamino)-2-[(trifluoromethylsulfonylamino)methyl]propyl]methanesulfonamide
CID 11466413
3,3-dimethylbutan-2-ylazanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 60160641
2,2-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,4-diamine
CID 106141425
N-(4-amino-2,2-dimethylbutyl)-1,1-difluoromethanesulfonamide
CID 106141541
Bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutane-1,1-diamine
CID 159965982

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium (CID 158181823) is bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium is CC(C)(C)CC[NH3+].O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium?
The InChIKey is FYRLFXZRIKYVBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5,7H2,1-3H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium?
bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium has a molecular weight of 382.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;3,3-dimethylbutylazanium is sourced from PubChem (CID 158181823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).