tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

C15H23FOSi — CID 141379842

IUPACtert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCc2cccc(F)c21
InChIInChI=1S/C15H23FOSi/c1-15(2,3)18(4,5)17-13-10-9-11-7-6-8-12(16)14(11)13/h6-8,13H,9-10H2,1-5H3/t13-/m0/s1
InChIKeyJBUNGWJBWFCCTP-ZDUSSCGKSA-N
MW266.43 g/mol
LogP4.83
Rot. Bonds2

About tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 141379842) has the molecular formula C15H23FOSi and a molecular weight of 266.43 g/mol. Its IUPAC name is tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
PubChem CID141379842
Molecular FormulaC15H23FOSi
Molecular Weight266.43 g/mol
Exact Mass266.15
IUPAC Nametert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCc2cccc(F)c21
InChIInChI=1S/C15H23FOSi/c1-15(2,3)18(4,5)17-13-10-9-11-7-6-8-12(16)14(11)13/h6-8,13H,9-10H2,1-5H3/t13-/m0/s1
InChIKeyJBUNGWJBWFCCTP-ZDUSSCGKSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.83
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-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 141379842) is tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCc2cccc(F)c21.
What is the InChIKey of tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The InChIKey is JBUNGWJBWFCCTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23FOSi/c1-15(2,3)18(4,5)17-13-10-9-11-7-6-8-12(16)14(11)13/h6-8,13H,9-10H2,1-5H3/t13-/m0/s1.
What are the key properties of tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 266.43 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 141379842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).