tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane

C12H18FIOSi — CID 22621320

IUPACtert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(F)cc1I
InChIInChI=1S/C12H18FIOSi/c1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14/h6-8H,1-5H3
InChIKeyWEQZVSDEVQITIO-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.81
Rot. Bonds2

About tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane

tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane (PubChem CID 22621320) has the molecular formula C12H18FIOSi and a molecular weight of 352.26 g/mol. Its IUPAC name is tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane
PubChem CID22621320
Molecular FormulaC12H18FIOSi
Molecular Weight352.26 g/mol
Exact Mass352.02
IUPAC Nametert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(F)cc1I
InChIInChI=1S/C12H18FIOSi/c1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14/h6-8H,1-5H3
InChIKeyWEQZVSDEVQITIO-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.81
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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Related Compounds

Trimethylphenoxysilane
CID 73720
Silane, dimethyldiphenoxy-
CID 76972
4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)
CID 11107815
3-(tert-Butyldimethylsilyloxy)phenylboronic Acid
CID 3463029
tert-Butyl(4-fluorophenoxy)dimethylsilane
CID 13683074
(4-Fluoro-phenoxy)-trimethyl-silane
CID 19261578
Isopropyl(dimethyl)phenoxysilane
CID 522069
tert-Butyldimethylphenoxysilane
CID 529235
(4-Iodophenoxy)trimethylsilane
CID 12247721
Hydroquinone, 2TBDMS derivative
CID 12691808
tert-Butyl(2-fluorophenoxy)dimethylsilane
CID 597214
4-(tert-Butyldimethylsilyloxy)-2,3-difluorophenylboronic acid
CID 54758868

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane (CID 22621320) is tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(F)cc1I.
What is the InChIKey of tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane?
The InChIKey is WEQZVSDEVQITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FIOSi/c1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14/h6-8H,1-5H3.
What are the key properties of tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane?
tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane has a molecular weight of 352.26 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane is sourced from PubChem (CID 22621320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).