dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate

C11H14F3NO3S — CID 134988876

IUPACdimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate
SMILESCC(c1ccccc1)=[N+](C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H14N.CHF3O3S/c1-9(11(2)3)10-7-5-4-6-8-10;2-1(3,4)8(5,6)7/h4-8H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyULYHMFJKTMYRJC-UHFFFAOYSA-M
MW297.30 g/mol
LogP1.82
Rot. Bonds1

About dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate

dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate (PubChem CID 134988876) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namedimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate
PubChem CID134988876
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Namedimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate
SMILESCC(c1ccccc1)=[N+](C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C10H14N.CHF3O3S/c1-9(11(2)3)10-7-5-4-6-8-10;2-1(3,4)8(5,6)7/h4-8H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyULYHMFJKTMYRJC-UHFFFAOYSA-M
XLogP1.82
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl-[methylselanyl(phenyl)methylidene]azanium;trifluoromethanesulfonate
CID 176426508
Dimethyl-(1-methylselanyl-2-phenylpent-4-enylidene)azanium;trifluoromethanesulfonate
CID 11418990
(NE,R)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 11637674
(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-[phenyl-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]azanium;trifluoromethanesulfonate
CID 12972041
Dimethyl-(1-phenyl-3-trimethylsilylprop-2-ynylidene)azanium;trifluoromethanesulfonate
CID 15470828
Dimethyl-[(4-methylphenyl)methylidene]azanium;trifluoromethanesulfonate
CID 15552417
(NE,S)-2-methyl-N-(2,2,2-trifluoro-1-phenylethylidene)propane-2-sulfinamide
CID 60150007

Frequently Asked Questions

What is the IUPAC name of dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate?
The IUPAC name of dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate (CID 134988876) is dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate.
What is the SMILES notation for dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate?
The canonical SMILES for dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate is CC(c1ccccc1)=[N+](C)C.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate?
The InChIKey is ULYHMFJKTMYRJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N.CHF3O3S/c1-9(11(2)3)10-7-5-4-6-8-10;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(1-phenylethylidene)azanium;trifluoromethanesulfonate?
dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate has a molecular weight of 297.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-phenylethylidene)azanium;trifluoromethanesulfonate is sourced from PubChem (CID 134988876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).