(5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane

C15H22BrFOSi — CID 140776237

IUPAC(5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCc2cc(Br)c(F)cc21
InChIInChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-14-7-6-10-8-12(16)13(17)9-11(10)14/h8-9,14H,6-7H2,1-5H3
InChIKeyKBFKGBPOXLSHLI-UHFFFAOYSA-N
MW345.33 g/mol
LogP5.60
Rot. Bonds2

About (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane

(5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 140776237) has the molecular formula C15H22BrFOSi and a molecular weight of 345.33 g/mol. Its IUPAC name is (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID140776237
Molecular FormulaC15H22BrFOSi
Molecular Weight345.33 g/mol
Exact Mass344.06
IUPAC Name(5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCc2cc(Br)c(F)cc21
InChIInChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-14-7-6-10-8-12(16)13(17)9-11(10)14/h8-9,14H,6-7H2,1-5H3
InChIKeyKBFKGBPOXLSHLI-UHFFFAOYSA-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

5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
(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
6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-ol
CID 61383944
[3-Bromo-2-(bromomethyl)-5-fluorophenyl]methoxy-tert-butyl-dimethylsilane
CID 69812590
6-bromo-4-fluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79727010
(S)-(4-Bromo-7-fluoro-2,3-dihydro-1H-inden-1-yloxy)(tert-butyl)dimethyl-silane
CID 86697280
6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol
CID 86715125
(4-bromo-7-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
CID 89808666
[(1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 89826025

Frequently Asked Questions

What is the IUPAC name of (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane (CID 140776237) is (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCc2cc(Br)c(F)cc21.
What is the InChIKey of (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is KBFKGBPOXLSHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-14-7-6-10-8-12(16)13(17)9-11(10)14/h8-9,14H,6-7H2,1-5H3.
What are the key properties of (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane?
(5-bromo-6-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 (5-bromo-6-fluoro-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140776237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).