[2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane

C12H16F2OSi — CID 12990227

IUPAC[2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane
SMILESCc1ccc(C(O[Si](C)(C)C)=C(F)F)cc1
InChIInChI=1S/C12H16F2OSi/c1-9-5-7-10(8-6-9)11(12(13)14)15-16(2,3)4/h5-8H,1-4H3
InChIKeyXKDSZMARZPMNHT-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.41
Rot. Bonds3

About [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane

[2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane (PubChem CID 12990227) has the molecular formula C12H16F2OSi and a molecular weight of 242.34 g/mol. Its IUPAC name is [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane
PubChem CID12990227
Molecular FormulaC12H16F2OSi
Molecular Weight242.34 g/mol
Exact Mass242.09
IUPAC Name[2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane
SMILESCc1ccc(C(O[Si](C)(C)C)=C(F)F)cc1
InChIInChI=1S/C12H16F2OSi/c1-9-5-7-10(8-6-9)11(12(13)14)15-16(2,3)4/h5-8H,1-4H3
InChIKeyXKDSZMARZPMNHT-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-methylphenyl)ethenoxy]-trimethylsilane?
The IUPAC name of [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane (CID 12990227) is [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane.
What is the SMILES notation for [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane?
The canonical SMILES for [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane is Cc1ccc(C(O[Si](C)(C)C)=C(F)F)cc1.
What is the InChIKey of [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane?
The InChIKey is XKDSZMARZPMNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2OSi/c1-9-5-7-10(8-6-9)11(12(13)14)15-16(2,3)4/h5-8H,1-4H3.
What are the key properties of [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane?
[2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane has a molecular weight of 242.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-(4-methylphenyl)ethenoxy]-trimethylsilane is sourced from PubChem (CID 12990227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).