2,2-diphenylethenyl trifluoromethanesulfonate

C15H11F3O3S — CID 10735024

IUPAC2,2-diphenylethenyl trifluoromethanesulfonate
SMILESO=S(=O)(OC=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)22(19,20)21-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyDHBVEAXVVFLQCY-UHFFFAOYSA-N
MW328.31 g/mol
LogP3.94
Rot. Bonds4

About 2,2-diphenylethenyl trifluoromethanesulfonate

2,2-diphenylethenyl trifluoromethanesulfonate (PubChem CID 10735024) has the molecular formula C15H11F3O3S and a molecular weight of 328.31 g/mol. Its IUPAC name is 2,2-diphenylethenyl trifluoromethanesulfonate.

Molecular Properties

Compound Name2,2-diphenylethenyl trifluoromethanesulfonate
PubChem CID10735024
Molecular FormulaC15H11F3O3S
Molecular Weight328.31 g/mol
Exact Mass328.04
IUPAC Name2,2-diphenylethenyl trifluoromethanesulfonate
SMILESO=S(=O)(OC=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H11F3O3S/c16-15(17,18)22(19,20)21-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKeyDHBVEAXVVFLQCY-UHFFFAOYSA-N
XLogP3.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenylethenyl trifluoromethanesulfonate?
The IUPAC name of 2,2-diphenylethenyl trifluoromethanesulfonate (CID 10735024) is 2,2-diphenylethenyl trifluoromethanesulfonate.
What is the SMILES notation for 2,2-diphenylethenyl trifluoromethanesulfonate?
The canonical SMILES for 2,2-diphenylethenyl trifluoromethanesulfonate is O=S(=O)(OC=C(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2-diphenylethenyl trifluoromethanesulfonate?
The InChIKey is DHBVEAXVVFLQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3S/c16-15(17,18)22(19,20)21-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 2,2-diphenylethenyl trifluoromethanesulfonate?
2,2-diphenylethenyl trifluoromethanesulfonate has a molecular weight of 328.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylethenyl trifluoromethanesulfonate is sourced from PubChem (CID 10735024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).