[difluoro(phenylsulfanyl)methyl]-trimethylsilane

C10H14F2SSi — CID 11075297

IUPAC[difluoro(phenylsulfanyl)methyl]-trimethylsilane
SMILESC[Si](C)(C)C(F)(F)Sc1ccccc1
InChIInChI=1S/C10H14F2SSi/c1-14(2,3)10(11,12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyNNNLERGMVGBYSD-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.25
Rot. Bonds3

About [difluoro(phenylsulfanyl)methyl]-trimethylsilane

[difluoro(phenylsulfanyl)methyl]-trimethylsilane (PubChem CID 11075297) has the molecular formula C10H14F2SSi and a molecular weight of 232.37 g/mol. Its IUPAC name is [difluoro(phenylsulfanyl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[difluoro(phenylsulfanyl)methyl]-trimethylsilane
PubChem CID11075297
Molecular FormulaC10H14F2SSi
Molecular Weight232.37 g/mol
Exact Mass232.06
IUPAC Name[difluoro(phenylsulfanyl)methyl]-trimethylsilane
SMILESC[Si](C)(C)C(F)(F)Sc1ccccc1
InChIInChI=1S/C10H14F2SSi/c1-14(2,3)10(11,12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyNNNLERGMVGBYSD-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [difluoro(phenylsulfanyl)methyl]-trimethylsilane?
The IUPAC name of [difluoro(phenylsulfanyl)methyl]-trimethylsilane (CID 11075297) is [difluoro(phenylsulfanyl)methyl]-trimethylsilane.
What is the SMILES notation for [difluoro(phenylsulfanyl)methyl]-trimethylsilane?
The canonical SMILES for [difluoro(phenylsulfanyl)methyl]-trimethylsilane is C[Si](C)(C)C(F)(F)Sc1ccccc1.
What is the InChIKey of [difluoro(phenylsulfanyl)methyl]-trimethylsilane?
The InChIKey is NNNLERGMVGBYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2SSi/c1-14(2,3)10(11,12)13-9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of [difluoro(phenylsulfanyl)methyl]-trimethylsilane?
[difluoro(phenylsulfanyl)methyl]-trimethylsilane has a molecular weight of 232.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(phenylsulfanyl)methyl]-trimethylsilane is sourced from PubChem (CID 11075297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).