bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium

C12H25F6NO4PS2+ — CID 162622861

IUPACbis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium
SMILESCCCCCC[N+](C)(C)CC.O=S(=O)(PS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H24N.C2HF6O4PS2/c1-5-7-8-9-10-11(3,4)6-2;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h5-10H2,1-4H3;13H/q+1;
InChIKeyXZALMLLRZIRVNR-UHFFFAOYSA-N
MW456.43 g/mol
LogP4.03
Rot. Bonds8

About bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium

bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium (PubChem CID 162622861) has the molecular formula C12H25F6NO4PS2+ and a molecular weight of 456.43 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium
PubChem CID162622861
Molecular FormulaC12H25F6NO4PS2+
Molecular Weight456.43 g/mol
Exact Mass456.09
IUPAC Namebis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium
SMILESCCCCCC[N+](C)(C)CC.O=S(=O)(PS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H24N.C2HF6O4PS2/c1-5-7-8-9-10-11(3,4)6-2;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h5-10H2,1-4H3;13H/q+1;
InChIKeyXZALMLLRZIRVNR-UHFFFAOYSA-N
XLogP4.03
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(trifluoromethylsulfonyl)phosphane;triethyl(heptyl)azanium
CID 171922946
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
ethyl-hexyl-dimethylazanium;bis(trifluoromethanesulfonate);yttrium
CID 159239563
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
dodecyl-ethyl-dimethylazanium;methanesulfonic acid
CID 87724332
dodecyl-ethyl-dimethylazanium;hydrate
CID 175307815
didecyl(dimethyl)azanium;sulfuric acid
CID 174764452
ethyl-hexadecyl-dimethylazanium hexafluorophosphate
CID 140503012
dimethyl(dioctadecyl)azanium;sulfuric acid
CID 87145734
dimethyl(dioctadecyl)azanium;dodecyl-ethyl-dimethylazanium;dibromide
CID 175504473
bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
bis(didecyl(dimethyl)azanium);difluoromethanedisulfonate
CID 158618424

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium (CID 162622861) is bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium is CCCCCC[N+](C)(C)CC.O=S(=O)(PS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium?
The InChIKey is XZALMLLRZIRVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N.C2HF6O4PS2/c1-5-7-8-9-10-11(3,4)6-2;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h5-10H2,1-4H3;13H/q+1;.
What are the key properties of bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium?
bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium has a molecular weight of 456.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium is sourced from PubChem (CID 162622861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).