[3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane

C12H18F2O2SSi — CID 16744214

IUPAC[3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane
SMILESC[Si](C)(C)CCC(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18F2O2SSi/c1-18(2,3)10-9-12(13,14)17(15,16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyLIROXEAOABHNGT-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.78
Rot. Bonds5

About [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane

[3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane (PubChem CID 16744214) has the molecular formula C12H18F2O2SSi and a molecular weight of 292.42 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane
PubChem CID16744214
Molecular FormulaC12H18F2O2SSi
Molecular Weight292.42 g/mol
Exact Mass292.08
IUPAC Name[3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane
SMILESC[Si](C)(C)CCC(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18F2O2SSi/c1-18(2,3)10-9-12(13,14)17(15,16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyLIROXEAOABHNGT-UHFFFAOYSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.78
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
Phenyl t-butyl sulfone
CID 138142
Phenyl Trifluoromethyl Sulfone
CID 555605
Difluoromethanesulfonylbenzene
CID 11816356
Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
1-Fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl)benzene
CID 11005308
[(Z)-3,3,3-trifluoroprop-1-enyl]sulfonylbenzene
CID 13499149
Dimethyl(phenyl)sulfonium nonafluorobutane-1-sulfonate
CID 22625545
[Difluoro(phenylsulfonyl)methyl]trimethyl-silane
CID 10989156
(Difluoro(phenylthio)methyl)trimethylsilane
CID 11075297
1,1-Difluoropentylphenyl sulfone
CID 12158449
(2,2,2-Trifluoroethyl)sulfonylbenzene
CID 12578046

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane?
The IUPAC name of [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane (CID 16744214) is [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane.
What is the SMILES notation for [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane?
The canonical SMILES for [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane is C[Si](C)(C)CCC(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane?
The InChIKey is LIROXEAOABHNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O2SSi/c1-18(2,3)10-9-12(13,14)17(15,16)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane?
[3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane has a molecular weight of 292.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-3,3-difluoropropyl]-trimethylsilane is sourced from PubChem (CID 16744214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).