bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium

C18H36F6NO4PS2 — CID 158388046

IUPACbis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H36P.C2F6NO4S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1
InChIKeyVJLXYWPNTKVSLC-UHFFFAOYSA-N
MW539.59 g/mol
LogP7.26
Rot. Bonds14

About bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium

bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium (PubChem CID 158388046) has the molecular formula C18H36F6NO4PS2 and a molecular weight of 539.59 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium
PubChem CID158388046
Molecular FormulaC18H36F6NO4PS2
Molecular Weight539.59 g/mol
Exact Mass539.17
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium
SMILESCCCC[P+](CCCC)(CCCC)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H36P.C2F6NO4S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1
InChIKeyVJLXYWPNTKVSLC-UHFFFAOYSA-N
XLogP7.26
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium
CID 158418130
tributyl(octyl)phosphanium;trifluoromethanesulfonate
CID 87573485
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
tributyl(dodecyl)phosphanium;trifluoromethanesulfonate
CID 87119491
bis(bis(trifluoromethylsulfonyl)azanide);tripropyl(5-pyridin-1-ium-1-ylpentyl)phosphanium
CID 162021253
bis(trifluoromethylsulfonyl)azanide;triheptylazanium
CID 134716538
bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
CID 175748915
bis(trifluoromethylsulfonyl)azanide;didecyl-methyl-octylazanium
CID 175748919
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
tetrabutylphosphanium;2,2,2-trifluoroacetate
CID 87558348
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium (CID 158388046) is bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium is CCCC[P+](CCCC)(CCCC)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium?
The InChIKey is VJLXYWPNTKVSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P.C2F6NO4S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium?
bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium has a molecular weight of 539.59 g/mol, XLogP of 7.26, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium is sourced from PubChem (CID 158388046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).