tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane

C16H23FOSi — CID 25019729

IUPACtert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C(F)CCc2ccccc21
InChIInChI=1S/C16H23FOSi/c1-16(2,3)19(4,5)18-15-13-9-7-6-8-12(13)10-11-14(15)17/h6-9H,10-11H2,1-5H3
InChIKeyXQYQCWWPRFWVKT-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.29
Rot. Bonds2

About tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane

tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane (PubChem CID 25019729) has the molecular formula C16H23FOSi and a molecular weight of 278.44 g/mol. Its IUPAC name is tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane
PubChem CID25019729
Molecular FormulaC16H23FOSi
Molecular Weight278.44 g/mol
Exact Mass278.15
IUPAC Nametert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C(F)CCc2ccccc21
InChIInChI=1S/C16H23FOSi/c1-16(2,3)19(4,5)18-15-13-9-7-6-8-12(13)10-11-14(15)17/h6-9H,10-11H2,1-5H3
InChIKeyXQYQCWWPRFWVKT-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane (CID 25019729) is tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=C(F)CCc2ccccc21.
What is the InChIKey of tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane?
The InChIKey is XQYQCWWPRFWVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FOSi/c1-16(2,3)19(4,5)18-15-13-9-7-6-8-12(13)10-11-14(15)17/h6-9H,10-11H2,1-5H3.
What are the key properties of tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane?
tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane has a molecular weight of 278.44 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-fluoro-3,4-dihydronaphthalen-1-yl)oxy]-dimethylsilane is sourced from PubChem (CID 25019729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).