tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane

C18H24FIOSi — CID 171613311

IUPACtert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1c(F)ccc2cccc(I)c12
InChIInChI=1S/C18H24FIOSi/c1-18(2,3)22(4,5)21-12-11-14-15(19)10-9-13-7-6-8-16(20)17(13)14/h6-10H,11-12H2,1-5H3
InChIKeyNXPLZXIVMWCTQX-UHFFFAOYSA-N
MW430.38 g/mol
LogP6.15
Rot. Bonds4

About tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane (PubChem CID 171613311) has the molecular formula C18H24FIOSi and a molecular weight of 430.38 g/mol. Its IUPAC name is tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane
PubChem CID171613311
Molecular FormulaC18H24FIOSi
Molecular Weight430.38 g/mol
Exact Mass430.06
IUPAC Nametert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1c(F)ccc2cccc(I)c12
InChIInChI=1S/C18H24FIOSi/c1-18(2,3)22(4,5)21-12-11-14-15(19)10-9-13-7-6-8-16(20)17(13)14/h6-10H,11-12H2,1-5H3
InChIKeyNXPLZXIVMWCTQX-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 56.15
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-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane (CID 171613311) is tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1c(F)ccc2cccc(I)c12.
What is the InChIKey of tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane?
The InChIKey is NXPLZXIVMWCTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FIOSi/c1-18(2,3)22(4,5)21-12-11-14-15(19)10-9-13-7-6-8-16(20)17(13)14/h6-10H,11-12H2,1-5H3.
What are the key properties of tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane has a molecular weight of 430.38 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 171613311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).