dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate

C11H14F3NO3STe — CID 139119423

IUPACdimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate
SMILESC[Te]C(c1ccccc1)=[N+](C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H14NTe.CHF3O3S/c1-11(2)10(12-3)9-7-5-4-6-8-9;2-1(3,4)8(5,6)7/h4-8H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyBBPQDIBASYNGHQ-UHFFFAOYSA-M
MW424.90 g/mol
LogP1.51
Rot. Bonds2

About dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate

dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate (PubChem CID 139119423) has the molecular formula C11H14F3NO3STe and a molecular weight of 424.90 g/mol. Its IUPAC name is dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namedimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate
PubChem CID139119423
Molecular FormulaC11H14F3NO3STe
Molecular Weight424.90 g/mol
Exact Mass426.97
IUPAC Namedimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate
SMILESC[Te]C(c1ccccc1)=[N+](C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H14NTe.CHF3O3S/c1-11(2)10(12-3)9-7-5-4-6-8-9;2-1(3,4)8(5,6)7/h4-8H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyBBPQDIBASYNGHQ-UHFFFAOYSA-M
XLogP1.51
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.90
LogP ≤ 51.51
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

Dimethyl-[methylselanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate
CID 176426508
(NE)-N-benzylidene-1,1,1-trifluoromethanesulfonamide
CID 13678597
N-(4-Trifluoromethylbenzylidene)methanesulfonamide
CID 9581578
Dimethyl-(1-methylselanyl-2-phenylpent-4-enylidene)azanium;trifluoromethanesulfonate
CID 11418990
(3-Cyclopropyl-1-phenylprop-2-ynylidene)-dimethylazanium;trifluoromethanesulfonate
CID 11845547
[[(1S,4R)-3-cyclopropyl-2-bicyclo[2.2.1]hepta-2,5-dienyl]-phenylmethylidene]-dimethylazanium;trifluoromethanesulfonate
CID 11845712
(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
Benzylidene(dimethyl)azanium;trifluoromethanesulfonate
CID 11961688
Dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate
CID 15470828
Dimethyl-[(4-methylphenyl)methylidene]azanium;trifluoromethanesulfonate
CID 15552417
1,1,1-trifluoro-N-methyl-N-[(E)-3-phenylprop-2-enyl]methanesulfonamide
CID 134859388

Frequently Asked Questions

What is the IUPAC name of dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate?
The IUPAC name of dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate (CID 139119423) is dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate.
What is the SMILES notation for dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate?
The canonical SMILES for dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate is C[Te]C(c1ccccc1)=[N+](C)C.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate?
The InChIKey is BBPQDIBASYNGHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14NTe.CHF3O3S/c1-11(2)10(12-3)9-7-5-4-6-8-9;2-1(3,4)8(5,6)7/h4-8H,1-3H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate?
dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate has a molecular weight of 424.90 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[methyltellanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate is sourced from PubChem (CID 139119423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).