(2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane

C10H14F2SSi — CID 171366311

IUPAC(2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane
SMILESCSc1ccc(F)c(F)c1[Si](C)(C)C
InChIInChI=1S/C10H14F2SSi/c1-13-8-6-5-7(11)9(12)10(8)14(2,3)4/h5-6H,1-4H3
InChIKeyDVGNEJMSJZBQPS-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.23
Rot. Bonds2

About (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane

(2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane (PubChem CID 171366311) has the molecular formula C10H14F2SSi and a molecular weight of 232.37 g/mol. Its IUPAC name is (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane
PubChem CID171366311
Molecular FormulaC10H14F2SSi
Molecular Weight232.37 g/mol
Exact Mass232.06
IUPAC Name(2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane
SMILESCSc1ccc(F)c(F)c1[Si](C)(C)C
InChIInChI=1S/C10H14F2SSi/c1-13-8-6-5-7(11)9(12)10(8)14(2,3)4/h5-6H,1-4H3
InChIKeyDVGNEJMSJZBQPS-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.23
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 (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane?
The IUPAC name of (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane (CID 171366311) is (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane.
What is the SMILES notation for (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane?
The canonical SMILES for (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane is CSc1ccc(F)c(F)c1[Si](C)(C)C.
What is the InChIKey of (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane?
The InChIKey is DVGNEJMSJZBQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2SSi/c1-13-8-6-5-7(11)9(12)10(8)14(2,3)4/h5-6H,1-4H3.
What are the key properties of (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane?
(2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane has a molecular weight of 232.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-6-methylsulfanylphenyl)-trimethylsilane is sourced from PubChem (CID 171366311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).