(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate

C23H23F3O3SSi — CID 123161149

IUPAC(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate
SMILESO=S(=O)(O[SiH2]C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C23H23F3O3SSi/c24-23(25,26)30(27,28)29-31-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18,31H2
InChIKeyYPDFSYLTSPCXLQ-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.82
Rot. Bonds9

About (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate

(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate (PubChem CID 123161149) has the molecular formula C23H23F3O3SSi and a molecular weight of 464.58 g/mol. Its IUPAC name is (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate.

Molecular Properties

Compound Name(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate
PubChem CID123161149
Molecular FormulaC23H23F3O3SSi
Molecular Weight464.58 g/mol
Exact Mass464.11
IUPAC Name(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate
SMILESO=S(=O)(O[SiH2]C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C23H23F3O3SSi/c24-23(25,26)30(27,28)29-31-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18,31H2
InChIKeyYPDFSYLTSPCXLQ-UHFFFAOYSA-N
XLogP4.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674
[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
CID 141041544
2-hydroxy-1,3-diphenylpropane-2-sulfonic acid
CID 103574168
(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate
CID 173057609
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
(1,1,1-trifluoro-3-phenylpropan-2-yl) trifluoromethanesulfonate
CID 101332301
[4-(phenylmethoxymethyl)phenyl] trifluoromethanesulfonate
CID 122380140
[dimethyl(phenyl)silyl] trifluoromethanesulfonate
CID 13495210
[(2R)-2-fluoro-3-phenylpropyl] trifluoromethanesulfonate
CID 135071725
2-(2-phenylethoxy)ethyl trifluoromethanesulfonate
CID 86626735
(2-methyl-1-phenylpropan-2-yl)oxy-(trifluoromethyl)silane
CID 174855658

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate?
The IUPAC name of (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate (CID 123161149) is (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate.
What is the SMILES notation for (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate?
The canonical SMILES for (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate is O=S(=O)(O[SiH2]C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate?
The InChIKey is YPDFSYLTSPCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3O3SSi/c24-23(25,26)30(27,28)29-31-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18,31H2.
What are the key properties of (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate?
(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate has a molecular weight of 464.58 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate is sourced from PubChem (CID 123161149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).