2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane

C13H20BrFO2Si — CID 58882978

IUPAC2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOCc1cc(F)ccc1Br
InChIInChI=1S/C13H20BrFO2Si/c1-18(2,3)7-6-16-10-17-9-11-8-12(15)4-5-13(11)14/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyFNEHGMGAUUAVGJ-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.42
Rot. Bonds7

About 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane

2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane (PubChem CID 58882978) has the molecular formula C13H20BrFO2Si and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane
PubChem CID58882978
Molecular FormulaC13H20BrFO2Si
Molecular Weight335.29 g/mol
Exact Mass334.04
IUPAC Name2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOCc1cc(F)ccc1Br
InChIInChI=1S/C13H20BrFO2Si/c1-18(2,3)7-6-16-10-17-9-11-8-12(15)4-5-13(11)14/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyFNEHGMGAUUAVGJ-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane (CID 58882978) is 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOCc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane?
The InChIKey is FNEHGMGAUUAVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFO2Si/c1-18(2,3)7-6-16-10-17-9-11-8-12(15)4-5-13(11)14/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane?
2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane has a molecular weight of 335.29 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methoxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58882978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).