phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium

C19H25F3IO3SSi2+ — CID 177401315

IUPACphenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium
SMILESC[Si](C)(C)c1cc([I+]c2ccccc2)c([Si](C)(C)C)cc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H25F3IO3SSi2/c1-28(2,3)17-13-16(26-27(24,25)19(20,21)22)18(29(4,5)6)12-15(17)23-14-10-8-7-9-11-14/h7-13H,1-6H3/q+1
InChIKeyLOEXNGHQRAFBIG-UHFFFAOYSA-N
MW573.54 g/mol
LogP1.13
Rot. Bonds6

About phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium

phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium (PubChem CID 177401315) has the molecular formula C19H25F3IO3SSi2+ and a molecular weight of 573.54 g/mol. Its IUPAC name is phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium.

Molecular Properties

Compound Namephenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium
PubChem CID177401315
Molecular FormulaC19H25F3IO3SSi2+
Molecular Weight573.54 g/mol
Exact Mass573.01
IUPAC Namephenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium
SMILESC[Si](C)(C)c1cc([I+]c2ccccc2)c([Si](C)(C)C)cc1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C19H25F3IO3SSi2/c1-28(2,3)17-13-16(26-27(24,25)19(20,21)22)18(29(4,5)6)12-15(17)23-14-10-8-7-9-11-14/h7-13H,1-6H3/q+1
InChIKeyLOEXNGHQRAFBIG-UHFFFAOYSA-N
XLogP1.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.54
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium with MolForge

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

Launch Full Analysis

Related Compounds

cesium;hydride;(2-trimethylsilylphenyl) trifluoromethanesulfonate
CID 174845505
(2-trimethylsilylphenyl) trifluoromethanesulfonate;dihydrofluoride
CID 158690774
[2,4-bis(trimethylsilyl)phenyl] trifluoromethanesulfonate
CID 56953950
(3-methylphenyl)-[2-(trifluoromethylsulfonyloxy)phenyl]iodanium
CID 175669134
(4,5-dimethyl-2-trimethylsilylphenyl) trifluoromethanesulfonate;methanesulfonic acid
CID 174845755
(6-trimethylsilylcyclohexa-1,5-dien-3-yn-1-yl) trifluoromethanesulfonate
CID 122376066
[2-[dimethyl(phenyl)silyl]phenyl] trifluoromethanesulfonate
CID 135020579
(4-bromophenyl)-[2-(trifluoromethylsulfonyloxy)phenyl]iodanium;trifluoromethanesulfonate
CID 175669663
(5-methoxycarbonyl-2-trimethylsilylphenyl)-phenyliodanium
CID 10897001
[3-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl] trifluoromethanesulfonate
CID 172787680
bis[4-(trifluoromethylsulfonyloxy)phenyl]iodanium
CID 154723322
ethane;(2-methylphenyl) trifluoromethanesulfonate
CID 91178585

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium?
The IUPAC name of phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium (CID 177401315) is phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium.
What is the SMILES notation for phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium?
The canonical SMILES for phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium is C[Si](C)(C)c1cc([I+]c2ccccc2)c([Si](C)(C)C)cc1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium?
The InChIKey is LOEXNGHQRAFBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3IO3SSi2/c1-28(2,3)17-13-16(26-27(24,25)19(20,21)22)18(29(4,5)6)12-15(17)23-14-10-8-7-9-11-14/h7-13H,1-6H3/q+1.
What are the key properties of phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium?
phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium has a molecular weight of 573.54 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl]iodanium is sourced from PubChem (CID 177401315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).