tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane

C18H25FOSi — CID 171613136

IUPACtert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1c(F)ccc2ccccc12
InChIInChI=1S/C18H25FOSi/c1-18(2,3)21(4,5)20-13-12-16-15-9-7-6-8-14(15)10-11-17(16)19/h6-11H,12-13H2,1-5H3
InChIKeyXVIQCCXIUXEQOH-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.54
Rot. Bonds4

About tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane (PubChem CID 171613136) has the molecular formula C18H25FOSi and a molecular weight of 304.48 g/mol. Its IUPAC name is tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane
PubChem CID171613136
Molecular FormulaC18H25FOSi
Molecular Weight304.48 g/mol
Exact Mass304.17
IUPAC Nametert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCc1c(F)ccc2ccccc12
InChIInChI=1S/C18H25FOSi/c1-18(2,3)21(4,5)20-13-12-16-15-9-7-6-8-14(15)10-11-17(16)19/h6-11H,12-13H2,1-5H3
InChIKeyXVIQCCXIUXEQOH-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane (CID 171613136) is tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCc1c(F)ccc2ccccc12.
What is the InChIKey of tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane?
The InChIKey is XVIQCCXIUXEQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FOSi/c1-18(2,3)21(4,5)20-13-12-16-15-9-7-6-8-14(15)10-11-17(16)19/h6-11H,12-13H2,1-5H3.
What are the key properties of tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(2-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane has a molecular weight of 304.48 g/mol, XLogP of 5.54, 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-fluoronaphthalen-1-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 171613136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).