[2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane

C18H22F2O2SSi — CID 102468060

IUPAC[2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane
SMILESCOc1ccc(C(O[Si](C)(C)C)C(F)(F)Sc2ccccc2)cc1
InChIInChI=1S/C18H22F2O2SSi/c1-21-15-12-10-14(11-13-15)17(22-24(2,3)4)18(19,20)23-16-8-6-5-7-9-16/h5-13,17H,1-4H3
InChIKeyDKBJRROLFXGZBX-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.97
Rot. Bonds7

About [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane

[2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane (PubChem CID 102468060) has the molecular formula C18H22F2O2SSi and a molecular weight of 368.52 g/mol. Its IUPAC name is [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane
PubChem CID102468060
Molecular FormulaC18H22F2O2SSi
Molecular Weight368.52 g/mol
Exact Mass368.11
IUPAC Name[2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane
SMILESCOc1ccc(C(O[Si](C)(C)C)C(F)(F)Sc2ccccc2)cc1
InChIInChI=1S/C18H22F2O2SSi/c1-21-15-12-10-14(11-13-15)17(22-24(2,3)4)18(19,20)23-16-8-6-5-7-9-16/h5-13,17H,1-4H3
InChIKeyDKBJRROLFXGZBX-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane?
The IUPAC name of [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane (CID 102468060) is [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane.
What is the SMILES notation for [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane?
The canonical SMILES for [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane is COc1ccc(C(O[Si](C)(C)C)C(F)(F)Sc2ccccc2)cc1.
What is the InChIKey of [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane?
The InChIKey is DKBJRROLFXGZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2O2SSi/c1-21-15-12-10-14(11-13-15)17(22-24(2,3)4)18(19,20)23-16-8-6-5-7-9-16/h5-13,17H,1-4H3.
What are the key properties of [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane?
[2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane has a molecular weight of 368.52 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethoxy]-trimethylsilane is sourced from PubChem (CID 102468060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).