[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane

C11H15FO2SSi — CID 134875849

IUPAC[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C(\F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15FO2SSi/c1-16(2,3)9-11(12)15(13,14)10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9+
InChIKeyVBYHDEQAXBKJLW-PKNBQFBNSA-N
MW258.39 g/mol
LogP3.15
Rot. Bonds3

About [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane

[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane (PubChem CID 134875849) has the molecular formula C11H15FO2SSi and a molecular weight of 258.39 g/mol. Its IUPAC name is [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane
PubChem CID134875849
Molecular FormulaC11H15FO2SSi
Molecular Weight258.39 g/mol
Exact Mass258.05
IUPAC Name[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C(\F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15FO2SSi/c1-16(2,3)9-11(12)15(13,14)10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9+
InChIKeyVBYHDEQAXBKJLW-PKNBQFBNSA-N
XLogP3.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
Phenyl vinyl sulfone
CID 79664
(Ethylsulphonyl)benzene
CID 69032
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476
1-Fluoro-4-(methylsulphonyl)benzene
CID 67994
Methoxymethyl Phenyl Sulfone
CID 366072
1-Fluoro-2-methanesulfonylbenzene
CID 2778243
Phenyl t-butyl sulfone
CID 138142
Phenyl Trifluoromethyl Sulfone
CID 555605

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane?
The IUPAC name of [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane (CID 134875849) is [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane?
The canonical SMILES for [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane is C[Si](C)(C)/C=C(\F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane?
The InChIKey is VBYHDEQAXBKJLW-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H15FO2SSi/c1-16(2,3)9-11(12)15(13,14)10-7-5-4-6-8-10/h4-9H,1-3H3/b11-9+.
What are the key properties of [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane?
[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane has a molecular weight of 258.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane is sourced from PubChem (CID 134875849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).