[(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane

C15H22BrFOSi — CID 142378042

IUPAC[(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCc2c1ccc(F)c2Br
InChIInChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-13-9-7-11-10(13)6-8-12(17)14(11)16/h6,8,13H,7,9H2,1-5H3/t13-/m0/s1
InChIKeyRPDHCRQTGYRDLJ-ZDUSSCGKSA-N
MW345.33 g/mol
LogP5.60
Rot. Bonds2

About [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane

[(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 142378042) has the molecular formula C15H22BrFOSi and a molecular weight of 345.33 g/mol. Its IUPAC name is [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID142378042
Molecular FormulaC15H22BrFOSi
Molecular Weight345.33 g/mol
Exact Mass344.06
IUPAC Name[(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCc2c1ccc(F)c2Br
InChIInChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-13-9-7-11-10(13)6-8-12(17)14(11)16/h6,8,13H,7,9H2,1-5H3/t13-/m0/s1
InChIKeyRPDHCRQTGYRDLJ-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-1-indanol
CID 13330208
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((2-Bromo-5-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 89561269
(4-Bromo-indan-1-yloxy)-tert-butyl-dimethyl-silane
CID 23358296
4-Bromo-2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1-fluorobenzene
CID 13553297
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
((2-Bromo-6-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 67265351

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane (CID 142378042) is [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCc2c1ccc(F)c2Br.
What is the InChIKey of [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RPDHCRQTGYRDLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22BrFOSi/c1-15(2,3)19(4,5)18-13-9-7-11-10(13)6-8-12(17)14(11)16/h6,8,13H,7,9H2,1-5H3/t13-/m0/s1.
What are the key properties of [(1S)-4-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S)-4-bromo-5-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-5-fluoro-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 142378042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).