bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium

C16H32F6NO5PS2 — CID 158418130

IUPACbis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)COC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H32OP.C2F6NO4S2/c1-5-8-11-16(14-15-4,12-9-6-2)13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-14H2,1-4H3;/q+1;-1
InChIKeyHADRRAJYGMXSLK-UHFFFAOYSA-N
MW527.53 g/mol
LogP6.07
Rot. Bonds13

About bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium

bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium (PubChem CID 158418130) has the molecular formula C16H32F6NO5PS2 and a molecular weight of 527.53 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium
PubChem CID158418130
Molecular FormulaC16H32F6NO5PS2
Molecular Weight527.53 g/mol
Exact Mass527.14
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)COC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H32OP.C2F6NO4S2/c1-5-8-11-16(14-15-4,12-9-6-2)13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-14H2,1-4H3;/q+1;-1
InChIKeyHADRRAJYGMXSLK-UHFFFAOYSA-N
XLogP6.07
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.53
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium
CID 158388046
tributyl(2-methoxyethyl)phosphanium;trifluoromethanesulfonate
CID 162622238
tetramagnesium;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1,2-dimethoxyethane);tetrachloride
CID 139051336
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
bis(trifluoromethylsulfonyl)azanide;triheptylazanium
CID 134716538
bis(trifluoromethylsulfonyl)azanide;didecyl-methyl-octylazanium
CID 175748919
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
CID 175748915
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
tributyl(octyl)phosphanium;trifluoromethanesulfonate
CID 87573485
decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium (CID 158418130) is bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium is CCCC[P+](CCCC)(CCCC)COC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium?
The InChIKey is HADRRAJYGMXSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32OP.C2F6NO4S2/c1-5-8-11-16(14-15-4,12-9-6-2)13-10-7-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-14H2,1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium?
bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium has a molecular weight of 527.53 g/mol, XLogP of 6.07, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tributyl(methoxymethyl)phosphanium is sourced from PubChem (CID 158418130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).