[(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane

C12H17FO2SSi — CID 134879679

IUPAC[(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane
SMILESC/C(=C(/F)S(=O)(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C12H17FO2SSi/c1-10(17(2,3)4)12(13)16(14,15)11-8-6-5-7-9-11/h5-9H,1-4H3/b12-10+
InChIKeyBEAFLDJNZOKIRC-ZRDIBKRKSA-N
MW272.42 g/mol
LogP3.54
Rot. Bonds3

About [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane

[(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane (PubChem CID 134879679) has the molecular formula C12H17FO2SSi and a molecular weight of 272.42 g/mol. Its IUPAC name is [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane
PubChem CID134879679
Molecular FormulaC12H17FO2SSi
Molecular Weight272.42 g/mol
Exact Mass272.07
IUPAC Name[(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane
SMILESC/C(=C(/F)S(=O)(=O)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C12H17FO2SSi/c1-10(17(2,3)4)12(13)16(14,15)11-8-6-5-7-9-11/h5-9H,1-4H3/b12-10+
InChIKeyBEAFLDJNZOKIRC-ZRDIBKRKSA-N
XLogP3.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.54
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
(Ethylsulphonyl)benzene
CID 69032
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476
1-Fluoro-4-(methylsulphonyl)benzene
CID 67994
1-Fluoro-2-methanesulfonylbenzene
CID 2778243
Phenyl t-butyl sulfone
CID 138142
Methylthiomethyl phenyl sulfone
CID 643313
Trimethylsilyl benzenesulphonate
CID 87351
Fluoromethyl Phenyl Sulfone
CID 2759036
Phenyl Trimethylsilylmethyl Sulfone
CID 3290840

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane?
The IUPAC name of [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane (CID 134879679) is [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane.
What is the SMILES notation for [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane?
The canonical SMILES for [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane is C/C(=C(/F)S(=O)(=O)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane?
The InChIKey is BEAFLDJNZOKIRC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H17FO2SSi/c1-10(17(2,3)4)12(13)16(14,15)11-8-6-5-7-9-11/h5-9H,1-4H3/b12-10+.
What are the key properties of [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane?
[(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane has a molecular weight of 272.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane is sourced from PubChem (CID 134879679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).