2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane

C14H22BrFO2Si — CID 86676268

IUPAC2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1Br
InChIInChI=1S/C14H22BrFO2Si/c1-5-11-8-14(13(16)9-12(11)15)18-10-17-6-7-19(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyUPARQXYMCJEGIW-UHFFFAOYSA-N
MW349.32 g/mol
LogP4.84
Rot. Bonds7

About 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane

2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 86676268) has the molecular formula C14H22BrFO2Si and a molecular weight of 349.32 g/mol. Its IUPAC name is 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane
PubChem CID86676268
Molecular FormulaC14H22BrFO2Si
Molecular Weight349.32 g/mol
Exact Mass348.06
IUPAC Name2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1Br
InChIInChI=1S/C14H22BrFO2Si/c1-5-11-8-14(13(16)9-12(11)15)18-10-17-6-7-19(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyUPARQXYMCJEGIW-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.84
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-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane (CID 86676268) is 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1Br.
What is the InChIKey of 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is UPARQXYMCJEGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFO2Si/c1-5-11-8-14(13(16)9-12(11)15)18-10-17-6-7-19(2,3)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane?
2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 349.32 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-ethyl-2-fluorophenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86676268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).