tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane

C10H20FIOSi — CID 74047270

IUPACtert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC=C(F)CI
InChIInChI=1S/C10H20FIOSi/c1-10(2,3)14(4,5)13-7-6-9(11)8-12/h6H,7-8H2,1-5H3
InChIKeyIGPOYWRLAGNUMG-UHFFFAOYSA-N
MW330.26 g/mol
LogP4.30
Rot. Bonds4

About tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane

tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane (PubChem CID 74047270) has the molecular formula C10H20FIOSi and a molecular weight of 330.26 g/mol. Its IUPAC name is tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane
PubChem CID74047270
Molecular FormulaC10H20FIOSi
Molecular Weight330.26 g/mol
Exact Mass330.03
IUPAC Nametert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC=C(F)CI
InChIInChI=1S/C10H20FIOSi/c1-10(2,3)14(4,5)13-7-6-9(11)8-12/h6H,7-8H2,1-5H3
InChIKeyIGPOYWRLAGNUMG-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane (CID 74047270) is tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCC=C(F)CI.
What is the InChIKey of tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane?
The InChIKey is IGPOYWRLAGNUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FIOSi/c1-10(2,3)14(4,5)13-7-6-9(11)8-12/h6H,7-8H2,1-5H3.
What are the key properties of tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane?
tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane has a molecular weight of 330.26 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-fluoro-4-iodobut-2-enoxy)-dimethylsilane is sourced from PubChem (CID 74047270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).