tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane

C11H18FIOSi — CID 142648119

IUPACtert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=IC=C(F)C=C1
InChIInChI=1S/C11H18FIOSi/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10/h6-8H,1-5H3
InChIKeyLOACHRTUEJLSLF-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.49
Rot. Bonds2

About tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane

tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane (PubChem CID 142648119) has the molecular formula C11H18FIOSi and a molecular weight of 340.25 g/mol. Its IUPAC name is tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane
PubChem CID142648119
Molecular FormulaC11H18FIOSi
Molecular Weight340.25 g/mol
Exact Mass340.02
IUPAC Nametert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=IC=C(F)C=C1
InChIInChI=1S/C11H18FIOSi/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10/h6-8H,1-5H3
InChIKeyLOACHRTUEJLSLF-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane (CID 142648119) is tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=IC=C(F)C=C1.
What is the InChIKey of tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane?
The InChIKey is LOACHRTUEJLSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FIOSi/c1-11(2,3)15(4,5)14-10-7-6-9(12)8-13-10/h6-8H,1-5H3.
What are the key properties of tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane?
tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane has a molecular weight of 340.25 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-2-yl)oxy]-dimethylsilane is sourced from PubChem (CID 142648119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).