[(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane

C15H22BrFOSi — CID 86697280

IUPAC[(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCc2c(Br)ccc(F)c21
InChIInChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-13-9-6-10-11(16)7-8-12(17)14(10)13/h7-8,13H,6,9H2,1-5H3/t13-/m0/s1
InChIKeyJSHQIFJTPOMBMT-ZDUSSCGKSA-N
MW345.33 g/mol
LogP5.60
Rot. Bonds2

About [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane

[(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 86697280) has the molecular formula C15H22BrFOSi and a molecular weight of 345.33 g/mol. Its IUPAC name is [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID86697280
Molecular FormulaC15H22BrFOSi
Molecular Weight345.33 g/mol
Exact Mass344.06
IUPAC Name[(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCc2c(Br)ccc(F)c21
InChIInChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-13-9-6-10-11(16)7-8-12(17)14(10)13/h7-8,13H,6,9H2,1-5H3/t13-/m0/s1
InChIKeyJSHQIFJTPOMBMT-ZDUSSCGKSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.33
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-Bromo-indan-1-yloxy)-tert-butyl-dimethyl-silane
CID 23358296
1-(3-Bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
CID 20785308
1-(5-Bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane
CID 59295861
[(1S)-1-(3-bromo-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane
CID 60003820
[3-Bromo-1-(2-bromo-6-fluorophenyl)propoxy]-tert-butyl-dimethylsilane
CID 69671437
1-(2-Bromo-4-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671664
1-(2-Bromo-5-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671697
1-(2-Bromo-6-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671917
[3-Bromo-1-(2-bromo-5-fluorophenyl)propoxy]-tert-butyl-dimethylsilane
CID 69672018
[3-Bromo-1-(2-bromo-3-fluorophenyl)propoxy]-tert-butyl-dimethylsilane
CID 69672189
[3-Bromo-1-(2-bromo-4-fluorophenyl)propoxy]-tert-butyl-dimethylsilane
CID 69672244
1-(2-Bromo-3-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69672333

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (CID 86697280) is [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCc2c(Br)ccc(F)c21.
What is the InChIKey of [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JSHQIFJTPOMBMT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-13-9-6-10-11(16)7-8-12(17)14(10)13/h7-8,13H,6,9H2,1-5H3/t13-/m0/s1.
What are the key properties of [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 345.33 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 86697280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).