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

C12H13F5OSi — CID 11437909

IUPAC[2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(=C(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F5OSi/c1-19(2,3)18-10(11(13)14)8-4-6-9(7-5-8)12(15,16)17/h4-7H,1-3H3
InChIKeyHLSVRLFELXFMGY-UHFFFAOYSA-N
MW296.31 g/mol
LogP5.12
Rot. Bonds3

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

[2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane (PubChem CID 11437909) has the molecular formula C12H13F5OSi and a molecular weight of 296.31 g/mol. Its IUPAC name is [2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane
PubChem CID11437909
Molecular FormulaC12H13F5OSi
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name[2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(=C(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F5OSi/c1-19(2,3)18-10(11(13)14)8-4-6-9(7-5-8)12(15,16)17/h4-7H,1-3H3
InChIKeyHLSVRLFELXFMGY-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.31
LogP ≤ 55.12
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-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane?
The IUPAC name of [2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane (CID 11437909) is [2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane.
What is the SMILES notation for [2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane?
The canonical SMILES for [2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane is C[Si](C)(C)OC(=C(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane?
The InChIKey is HLSVRLFELXFMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5OSi/c1-19(2,3)18-10(11(13)14)8-4-6-9(7-5-8)12(15,16)17/h4-7H,1-3H3.
What are the key properties of [2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane?
[2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane has a molecular weight of 296.31 g/mol, XLogP of 5.12, 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-(trifluoromethyl)phenyl]ethenoxy]-trimethylsilane is sourced from PubChem (CID 11437909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).