azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid

C14H34F3NO3PS+ — CID 174524240

IUPACazane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid
SMILESCCCC[P+](C)(CCCC)CCCC.N.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C13H30P.CHF3O3S.H3N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3,4)8(5,6)7;/h5-13H2,1-4H3;(H,5,6,7);1H3/q+1;;
InChIKeyQUDJGAUOSMKCAC-UHFFFAOYSA-N
MW384.47 g/mol
LogP5.59
Rot. Bonds9

About azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid

azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid (PubChem CID 174524240) has the molecular formula C14H34F3NO3PS+ and a molecular weight of 384.47 g/mol. Its IUPAC name is azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid.

Molecular Properties

Compound Nameazane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid
PubChem CID174524240
Molecular FormulaC14H34F3NO3PS+
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Nameazane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid
SMILESCCCC[P+](C)(CCCC)CCCC.N.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C13H30P.CHF3O3S.H3N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3,4)8(5,6)7;/h5-13H2,1-4H3;(H,5,6,7);1H3/q+1;;
InChIKeyQUDJGAUOSMKCAC-UHFFFAOYSA-N
XLogP5.59
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.47
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

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CID 161255361
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CID 118386562
tributyl(methyl)phosphanium
CID 2760115
tributyl(methyl)phosphanium iodide
CID 2760114
phosphoric acid;tributyl(methyl)phosphanium
CID 166680840
tributylborane;trifluoromethanesulfonic acid
CID 19887929
1-iodopentane;trifluoromethanesulfonic acid
CID 174771311
azane;2-methylheptan-2-ol;trifluoromethanesulfonic acid
CID 174876443
methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
CID 158242345
pentanoic acid;trifluoromethanesulfonic acid
CID 158887018
tributyl(trifluoromethylsulfonyloxy)phosphanium
CID 87465902
7,9-dimethylpentadecane-8,8-disulfonic acid
CID 89439516

Frequently Asked Questions

What is the IUPAC name of azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid?
The IUPAC name of azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid (CID 174524240) is azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid.
What is the SMILES notation for azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid?
The canonical SMILES for azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid is CCCC[P+](C)(CCCC)CCCC.N.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid?
The InChIKey is QUDJGAUOSMKCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30P.CHF3O3S.H3N/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;2-1(3,4)8(5,6)7;/h5-13H2,1-4H3;(H,5,6,7);1H3/q+1;;.
What are the key properties of azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid?
azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid has a molecular weight of 384.47 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid is sourced from PubChem (CID 174524240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).