[4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane

C14H21BrF2O2Si — CID 58961546

IUPAC[4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane
SMILESCCOC(C)OCc1c(Br)cc(F)c([Si](C)(C)C)c1F
InChIInChI=1S/C14H21BrF2O2Si/c1-6-18-9(2)19-8-10-11(15)7-12(16)14(13(10)17)20(3,4)5/h7,9H,6,8H2,1-5H3
InChIKeyQNIWQCFLHMXYHU-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.17
Rot. Bonds6

About [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane

[4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane (PubChem CID 58961546) has the molecular formula C14H21BrF2O2Si and a molecular weight of 367.31 g/mol. Its IUPAC name is [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane
PubChem CID58961546
Molecular FormulaC14H21BrF2O2Si
Molecular Weight367.31 g/mol
Exact Mass366.05
IUPAC Name[4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane
SMILESCCOC(C)OCc1c(Br)cc(F)c([Si](C)(C)C)c1F
InChIInChI=1S/C14H21BrF2O2Si/c1-6-18-9(2)19-8-10-11(15)7-12(16)14(13(10)17)20(3,4)5/h7,9H,6,8H2,1-5H3
InChIKeyQNIWQCFLHMXYHU-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane?
The IUPAC name of [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane (CID 58961546) is [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane.
What is the SMILES notation for [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane?
The canonical SMILES for [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane is CCOC(C)OCc1c(Br)cc(F)c([Si](C)(C)C)c1F.
What is the InChIKey of [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane?
The InChIKey is QNIWQCFLHMXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF2O2Si/c1-6-18-9(2)19-8-10-11(15)7-12(16)14(13(10)17)20(3,4)5/h7,9H,6,8H2,1-5H3.
What are the key properties of [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane?
[4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane has a molecular weight of 367.31 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(1-ethoxyethoxymethyl)-2,6-difluorophenyl]-trimethylsilane is sourced from PubChem (CID 58961546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).