3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

C17H28BrFOSi — CID 12044712

IUPAC3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
SMILESCC(C)C(C)(C)[Si](C)(C)OCCCc1ccc(F)cc1Br
InChIInChI=1S/C17H28BrFOSi/c1-13(2)17(3,4)21(5,6)20-11-7-8-14-9-10-15(19)12-16(14)18/h9-10,12-13H,7-8,11H2,1-6H3
InChIKeyNOPOEQMYSLGPGQ-UHFFFAOYSA-N
MW375.40 g/mol
LogP6.18
Rot. Bonds7

About 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane

3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane (PubChem CID 12044712) has the molecular formula C17H28BrFOSi and a molecular weight of 375.40 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
PubChem CID12044712
Molecular FormulaC17H28BrFOSi
Molecular Weight375.40 g/mol
Exact Mass374.11
IUPAC Name3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
SMILESCC(C)C(C)(C)[Si](C)(C)OCCCc1ccc(F)cc1Br
InChIInChI=1S/C17H28BrFOSi/c1-13(2)17(3,4)21(5,6)20-11-7-8-14-9-10-15(19)12-16(14)18/h9-10,12-13H,7-8,11H2,1-6H3
InChIKeyNOPOEQMYSLGPGQ-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.40
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-Bromophenyl)propoxy](tert-butyl)dimethylsilane
CID 20346533
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
((2-Bromobenzyl)oxy)(tert-butyl)dimethylsilane
CID 13424900
2-Bromo-5-fluorobenzyl alcohol, bromomethyldimethylsilyl ether
CID 91739502
2-Bromo-5-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91739503
((2-Bromo-5-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 89561269
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-(4-bromophenyl)-1-cyclopentene
CID 122389931
[2-(4-Bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
CID 134967803
2-Bromobenzyl triisopropylsilyl ether
CID 18706297
2-Bromo-5-fluorobenzyl alcohol, TMS derivative
CID 91739656
3-(2-Bromo-4-fluorophenyl)propoxy-tert-butyl-dimethylsilane
CID 12098340

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane (CID 12044712) is 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane is CC(C)C(C)(C)[Si](C)(C)OCCCc1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
The InChIKey is NOPOEQMYSLGPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrFOSi/c1-13(2)17(3,4)21(5,6)20-11-7-8-14-9-10-15(19)12-16(14)18/h9-10,12-13H,7-8,11H2,1-6H3.
What are the key properties of 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane?
3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane has a molecular weight of 375.40 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane is sourced from PubChem (CID 12044712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).