[1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane

C11H14BrF3OSi — CID 11427386

IUPAC[1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C11H14BrF3OSi/c1-17(2,3)16-10(11(13,14)15)8-4-6-9(12)7-5-8/h4-7,10H,1-3H3
InChIKeyMCERGXCQOCJDOP-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.90
Rot. Bonds3

About [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane

[1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane (PubChem CID 11427386) has the molecular formula C11H14BrF3OSi and a molecular weight of 327.22 g/mol. Its IUPAC name is [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane
PubChem CID11427386
Molecular FormulaC11H14BrF3OSi
Molecular Weight327.22 g/mol
Exact Mass325.99
IUPAC Name[1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C11H14BrF3OSi/c1-17(2,3)16-10(11(13,14)15)8-4-6-9(12)7-5-8/h4-7,10H,1-3H3
InChIKeyMCERGXCQOCJDOP-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane?
The IUPAC name of [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane (CID 11427386) is [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane.
What is the SMILES notation for [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane?
The canonical SMILES for [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane is C[Si](C)(C)OC(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane?
The InChIKey is MCERGXCQOCJDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3OSi/c1-17(2,3)16-10(11(13,14)15)8-4-6-9(12)7-5-8/h4-7,10H,1-3H3.
What are the key properties of [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane?
[1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane has a molecular weight of 327.22 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-2,2,2-trifluoroethoxy]-trimethylsilane is sourced from PubChem (CID 11427386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).