[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate

C15H15F3O3SSi — CID 135020579

IUPAC[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
SMILESC[Si](C)(c1ccccc1)c1ccccc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H15F3O3SSi/c1-23(2,12-8-4-3-5-9-12)14-11-7-6-10-13(14)21-22(19,20)15(16,17)18/h3-11H,1-2H3
InChIKeyCTWFWWHXSTVRFU-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.74
Rot. Bonds4

About [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate

[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate (PubChem CID 135020579) has the molecular formula C15H15F3O3SSi and a molecular weight of 360.43 g/mol. Its IUPAC name is [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
PubChem CID135020579
Molecular FormulaC15H15F3O3SSi
Molecular Weight360.43 g/mol
Exact Mass360.05
IUPAC Name[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
SMILESC[Si](C)(c1ccccc1)c1ccccc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H15F3O3SSi/c1-23(2,12-8-4-3-5-9-12)14-11-7-6-10-13(14)21-22(19,20)15(16,17)18/h3-11H,1-2H3
InChIKeyCTWFWWHXSTVRFU-UHFFFAOYSA-N
XLogP2.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 174845505
[2-[di(butan-2-yl)-phenylsilyl]phenyl] trifluoromethanesulfonate
CID 135075912
[2,4-bis(trimethylsilyl)phenyl] trifluoromethanesulfonate
CID 56953950
ethane;(2-methylphenyl) trifluoromethanesulfonate
CID 91178585
[dimethyl(phenyl)silyl] trifluoromethanesulfonate
CID 13495210
[methyl(diphenyl)silyl] trifluoromethanesulfonate
CID 15734356
(2-methylsulfanylphenyl) trifluoromethanesulfonate
CID 71444001
3-tert-butyl-1H-isoindole;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 159606344
(2-pyrimidin-2-ylphenyl) trifluoromethanesulfonate
CID 54523576
(2-hydroxyselanylphenyl) trifluoromethanesulfonate
CID 101376046
(2-propanoylphenyl) trifluoromethanesulfonate
CID 11448916

Frequently Asked Questions

What is the IUPAC name of [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate?
The IUPAC name of [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate (CID 135020579) is [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate.
What is the SMILES notation for [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate?
The canonical SMILES for [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate is C[Si](C)(c1ccccc1)c1ccccc1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate?
The InChIKey is CTWFWWHXSTVRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O3SSi/c1-23(2,12-8-4-3-5-9-12)14-11-7-6-10-13(14)21-22(19,20)15(16,17)18/h3-11H,1-2H3.
What are the key properties of [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate?
[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate has a molecular weight of 360.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate is sourced from PubChem (CID 135020579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).