(2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane

C17H20F2OSSi — CID 102468059

IUPAC(2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)C(F)(F)Sc1ccccc1
InChIInChI=1S/C17H20F2OSSi/c1-22(2,3)20-16(14-10-6-4-7-11-14)17(18,19)21-15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyVQKDRJUNHYZJQO-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.96
Rot. Bonds6

About (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane

(2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane (PubChem CID 102468059) has the molecular formula C17H20F2OSSi and a molecular weight of 338.50 g/mol. Its IUPAC name is (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane.

Molecular Properties

Compound Name(2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
PubChem CID102468059
Molecular FormulaC17H20F2OSSi
Molecular Weight338.50 g/mol
Exact Mass338.10
IUPAC Name(2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccccc1)C(F)(F)Sc1ccccc1
InChIInChI=1S/C17H20F2OSSi/c1-22(2,3)20-16(14-10-6-4-7-11-14)17(18,19)21-15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyVQKDRJUNHYZJQO-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane?
The IUPAC name of (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane (CID 102468059) is (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane.
What is the SMILES notation for (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane?
The canonical SMILES for (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane is C[Si](C)(C)OC(c1ccccc1)C(F)(F)Sc1ccccc1.
What is the InChIKey of (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane?
The InChIKey is VQKDRJUNHYZJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2OSSi/c1-22(2,3)20-16(14-10-6-4-7-11-14)17(18,19)21-15-12-8-5-9-13-15/h4-13,16H,1-3H3.
What are the key properties of (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane?
(2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane has a molecular weight of 338.50 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane is sourced from PubChem (CID 102468059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).