dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate

C15H20F3NO3SSi — CID 15470828

IUPACdimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate
SMILESC[N+](C)=C(C#C[Si](C)(C)C)c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C14H20NSi.CHF3O3S/c1-15(2)14(11-12-16(3,4)5)13-9-7-6-8-10-13;2-1(3,4)8(5,6)7/h6-10H,1-5H3;(H,5,6,7)/q+1;/p-1
InChIKeyCRQMQFOKBFAYOX-UHFFFAOYSA-M
MW379.48 g/mol
LogP2.68
Rot. Bonds1

About dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate

dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate (PubChem CID 15470828) has the molecular formula C15H20F3NO3SSi and a molecular weight of 379.48 g/mol. Its IUPAC name is dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namedimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate
PubChem CID15470828
Molecular FormulaC15H20F3NO3SSi
Molecular Weight379.48 g/mol
Exact Mass379.09
IUPAC Namedimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate
SMILESC[N+](C)=C(C#C[Si](C)(C)C)c1ccccc1.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C14H20NSi.CHF3O3S/c1-15(2)14(11-12-16(3,4)5)13-9-7-6-8-10-13;2-1(3,4)8(5,6)7/h6-10H,1-5H3;(H,5,6,7)/q+1;/p-1
InChIKeyCRQMQFOKBFAYOX-UHFFFAOYSA-M
XLogP2.68
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(3-Cyclopropyl-1-phenylprop-2-ynylidene)-dimethylazanium;trifluoromethanesulfonate
CID 11845547
(4,4-Dimethyl-1-phenylpent-2-ynylidene)-dimethylazanium;trifluoromethanesulfonate
CID 11845714
[(2-Tert-butyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)-phenylmethylidene]-dimethylazanium;trifluoromethanesulfonate
CID 11845716
Dimethyl-[phenyl-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]azanium;trifluoromethanesulfonate
CID 12972041
(E)-benzylidene-methyl-(trimethylsilylmethyl)azanium;trifluoromethanesulfonate
CID 134877666
Benzhydrylidene(dimethyl)azanium;trifluoromethanesulfonate
CID 134923938
Dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate
CID 134988876
[3-Cyclopropyl-1-(4-methylphenyl)prop-2-ynylidene]-dimethylazanium;trifluoromethanesulfonate
CID 135006444
[(2-Cyclopropyl-4,5-dimethylcyclohexa-1,4-dien-1-yl)-phenylmethylidene]-dimethylazanium;trifluoromethanesulfonate
CID 135006519
Dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate
CID 139119423
[(Z)-[1-phenyl-3-tri(propan-2-yl)silylprop-2-ynylidene]amino] methanesulfonate
CID 11068923
Dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium
CID 15470829

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate?
The IUPAC name of dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate (CID 15470828) is dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate.
What is the SMILES notation for dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate?
The canonical SMILES for dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate is C[N+](C)=C(C#C[Si](C)(C)C)c1ccccc1.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate?
The InChIKey is CRQMQFOKBFAYOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20NSi.CHF3O3S/c1-15(2)14(11-12-16(3,4)5)13-9-7-6-8-10-13;2-1(3,4)8(5,6)7/h6-10H,1-5H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate?
dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate has a molecular weight of 379.48 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate is sourced from PubChem (CID 15470828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).