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

C12H16F2O2Si — CID 11436832

IUPAC[2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane
SMILESCOc1ccc(C(O[Si](C)(C)C)=C(F)F)cc1
InChIInChI=1S/C12H16F2O2Si/c1-15-10-7-5-9(6-8-10)11(12(13)14)16-17(2,3)4/h5-8H,1-4H3
InChIKeyAOLHRYDELZHUAW-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.11
Rot. Bonds4

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

[2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane (PubChem CID 11436832) has the molecular formula C12H16F2O2Si and a molecular weight of 258.34 g/mol. Its IUPAC name is [2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane
PubChem CID11436832
Molecular FormulaC12H16F2O2Si
Molecular Weight258.34 g/mol
Exact Mass258.09
IUPAC Name[2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane
SMILESCOc1ccc(C(O[Si](C)(C)C)=C(F)F)cc1
InChIInChI=1S/C12H16F2O2Si/c1-15-10-7-5-9(6-8-10)11(12(13)14)16-17(2,3)4/h5-8H,1-4H3
InChIKeyAOLHRYDELZHUAW-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxyphenyl)ethenoxy]-trimethylsilane?
The IUPAC name of [2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane (CID 11436832) is [2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane.
What is the SMILES notation for [2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane?
The canonical SMILES for [2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane is COc1ccc(C(O[Si](C)(C)C)=C(F)F)cc1.
What is the InChIKey of [2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane?
The InChIKey is AOLHRYDELZHUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2Si/c1-15-10-7-5-9(6-8-10)11(12(13)14)16-17(2,3)4/h5-8H,1-4H3.
What are the key properties of [2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane?
[2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane has a molecular weight of 258.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-1-(4-methoxyphenyl)ethenoxy]-trimethylsilane is sourced from PubChem (CID 11436832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).