[(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate

C16H10F6O6S2 — CID 13270837

IUPAC[(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate
SMILESO=S(=O)(O/C(=C(\OS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10F6O6S2/c17-15(18,19)29(23,24)27-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)28-30(25,26)16(20,21)22/h1-10H/b14-13-
InChIKeyDTDHBIKQQKLIPY-YPKPFQOOSA-N
MW476.37 g/mol
LogP4.24
Rot. Bonds6

About [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate

[(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate (PubChem CID 13270837) has the molecular formula C16H10F6O6S2 and a molecular weight of 476.37 g/mol. Its IUPAC name is [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate
PubChem CID13270837
Molecular FormulaC16H10F6O6S2
Molecular Weight476.37 g/mol
Exact Mass475.98
IUPAC Name[(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate
SMILESO=S(=O)(O/C(=C(\OS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H10F6O6S2/c17-15(18,19)29(23,24)27-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)28-30(25,26)16(20,21)22/h1-10H/b14-13-
InChIKeyDTDHBIKQQKLIPY-YPKPFQOOSA-N
XLogP4.24
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate?
The IUPAC name of [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate (CID 13270837) is [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate.
What is the SMILES notation for [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate?
The canonical SMILES for [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate is O=S(=O)(O/C(=C(\OS(=O)(=O)C(F)(F)F)c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate?
The InChIKey is DTDHBIKQQKLIPY-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H10F6O6S2/c17-15(18,19)29(23,24)27-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)28-30(25,26)16(20,21)22/h1-10H/b14-13-.
What are the key properties of [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate?
[(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate has a molecular weight of 476.37 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-diphenyl-2-(trifluoromethylsulfonyloxy)ethenyl] trifluoromethanesulfonate is sourced from PubChem (CID 13270837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).