(2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane

C13H20BrFOSi — CID 67265351

IUPAC(2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1c(F)cccc1Br
InChIInChI=1S/C13H20BrFOSi/c1-13(2,3)17(4,5)16-9-10-11(14)7-6-8-12(10)15/h6-8H,9H2,1-5H3
InChIKeyISUPLMCWCPCDLI-UHFFFAOYSA-N
MW319.29 g/mol
LogP5.11
Rot. Bonds3

About (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane

(2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 67265351) has the molecular formula C13H20BrFOSi and a molecular weight of 319.29 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane
PubChem CID67265351
Molecular FormulaC13H20BrFOSi
Molecular Weight319.29 g/mol
Exact Mass318.05
IUPAC Name(2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1c(F)cccc1Br
InChIInChI=1S/C13H20BrFOSi/c1-13(2,3)17(4,5)16-9-10-11(14)7-6-8-12(10)15/h6-8H,9H2,1-5H3
InChIKeyISUPLMCWCPCDLI-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.29
LogP ≤ 55.11
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-Bromobenzyloxy)trimethylsilane
CID 598201
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1-Bromo-4-fluoro-2-(methoxymethyl)benzene
CID 2769414
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
2-Bromo-4-fluoro-1-(methoxymethyl)benzene
CID 61531571
(4-Bromo-2,3,5,6-tetrafluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 101844102
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
[1-(4-Bromophenyl)-2,2-difluoroethenoxy]-trimethylsilane
CID 85820163

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane (CID 67265351) is (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is ISUPLMCWCPCDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFOSi/c1-13(2,3)17(4,5)16-9-10-11(14)7-6-8-12(10)15/h6-8H,9H2,1-5H3.
What are the key properties of (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane?
(2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 319.29 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 67265351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).