[10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate

C16H14F6O6S2Si2 — CID 23399090

IUPAC[10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate
SMILESC[Si]1(C)c2ccccc2[Si](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H14F6O6S2Si2/c1-31(2)11-7-3-5-9-13(11)32(14-10-6-4-8-12(14)31,27-29(23,24)15(17,18)19)28-30(25,26)16(20,21)22/h3-10H,1-2H3
InChIKeyVNAFPOATDVKIBO-UHFFFAOYSA-N
MW536.58 g/mol
LogP1.11
Rot. Bonds4

About [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate

[10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate (PubChem CID 23399090) has the molecular formula C16H14F6O6S2Si2 and a molecular weight of 536.58 g/mol. Its IUPAC name is [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate
PubChem CID23399090
Molecular FormulaC16H14F6O6S2Si2
Molecular Weight536.58 g/mol
Exact Mass535.97
IUPAC Name[10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate
SMILESC[Si]1(C)c2ccccc2[Si](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H14F6O6S2Si2/c1-31(2)11-7-3-5-9-13(11)32(14-10-6-4-8-12(14)31,27-29(23,24)15(17,18)19)28-30(25,26)16(20,21)22/h3-10H,1-2H3
InChIKeyVNAFPOATDVKIBO-UHFFFAOYSA-N
XLogP1.11
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 164863138
CID 164863138
(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674
[fluoro(phenyl)methyl] trifluoromethanesulfonate
CID 175221512
[dimethyl(phenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 12977680
2,2-dimethylpropyl difluoro(phenyl)methanesulfonate
CID 10492844
[dimethyl(phenyl)silyl] trifluoromethanesulfonate
CID 13495210
[methyl(diphenyl)silyl] trifluoromethanesulfonate
CID 15734356
(triphenyl-λ4-sulfanyl) trifluoromethanesulfonate
CID 141079280
fluoro difluoro(phenyl)methanesulfonate
CID 87462913
[(2R)-2-fluoro-3-phenylpropyl] trifluoromethanesulfonate
CID 135071725
methyl 2-phenyl-2-(trifluoromethylsulfonyloxy)acetate
CID 14104123
ethane;(2-methylphenyl) trifluoromethanesulfonate
CID 91178585

Frequently Asked Questions

What is the IUPAC name of [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate?
The IUPAC name of [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate (CID 23399090) is [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate.
What is the SMILES notation for [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate?
The canonical SMILES for [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate is C[Si]1(C)c2ccccc2[Si](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate?
The InChIKey is VNAFPOATDVKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6O6S2Si2/c1-31(2)11-7-3-5-9-13(11)32(14-10-6-4-8-12(14)31,27-29(23,24)15(17,18)19)28-30(25,26)16(20,21)22/h3-10H,1-2H3.
What are the key properties of [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate?
[10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate has a molecular weight of 536.58 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10,10-dimethyl-5-(trifluoromethylsulfonyloxy)silanthren-5-yl] trifluoromethanesulfonate is sourced from PubChem (CID 23399090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).