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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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).