[(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene

C16H13F3O3S — CID 135063653

IUPAC[(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene
SMILESCO/C(=C(/c1ccccc1)S(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H13F3O3S/c1-22-14(12-8-4-2-5-9-12)15(13-10-6-3-7-11-13)23(20,21)16(17,18)19/h2-11H,1H3/b15-14-
InChIKeyBJVHCTOVXJQWPU-PFONDFGASA-N
MW342.34 g/mol
LogP4.09
Rot. Bonds4

About [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene

[(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene (PubChem CID 135063653) has the molecular formula C16H13F3O3S and a molecular weight of 342.34 g/mol. Its IUPAC name is [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene.

Molecular Properties

Compound Name[(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene
PubChem CID135063653
Molecular FormulaC16H13F3O3S
Molecular Weight342.34 g/mol
Exact Mass342.05
IUPAC Name[(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene
SMILESCO/C(=C(/c1ccccc1)S(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H13F3O3S/c1-22-14(12-8-4-2-5-9-12)15(13-10-6-3-7-11-13)23(20,21)16(17,18)19/h2-11H,1H3/b15-14-
InChIKeyBJVHCTOVXJQWPU-PFONDFGASA-N
XLogP4.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene?
The IUPAC name of [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene (CID 135063653) is [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene.
What is the SMILES notation for [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene?
The canonical SMILES for [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene is CO/C(=C(/c1ccccc1)S(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene?
The InChIKey is BJVHCTOVXJQWPU-PFONDFGASA-N. The full InChI is InChI=1S/C16H13F3O3S/c1-22-14(12-8-4-2-5-9-12)15(13-10-6-3-7-11-13)23(20,21)16(17,18)19/h2-11H,1H3/b15-14-.
What are the key properties of [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene?
[(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene has a molecular weight of 342.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-methoxy-2-phenyl-2-(trifluoromethylsulfonyl)ethenyl]benzene is sourced from PubChem (CID 135063653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).