2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane

C9H16BrFN2OSi — CID 168982285

IUPAC2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(F)c(Br)n1
InChIInChI=1S/C9H16BrFN2OSi/c1-15(2,3)5-4-14-7-13-6-8(11)9(10)12-13/h6H,4-5,7H2,1-3H3
InChIKeyATWMUGUYTPZDEN-UHFFFAOYSA-N
MW295.23 g/mol
LogP3.10
Rot. Bonds5

About 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 168982285) has the molecular formula C9H16BrFN2OSi and a molecular weight of 295.23 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID168982285
Molecular FormulaC9H16BrFN2OSi
Molecular Weight295.23 g/mol
Exact Mass294.02
IUPAC Name2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(F)c(Br)n1
InChIInChI=1S/C9H16BrFN2OSi/c1-15(2,3)5-4-14-7-13-6-8(11)9(10)12-13/h6H,4-5,7H2,1-3H3
InChIKeyATWMUGUYTPZDEN-UHFFFAOYSA-N
XLogP3.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane (CID 168982285) is 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(F)c(Br)n1.
What is the InChIKey of 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ATWMUGUYTPZDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrFN2OSi/c1-15(2,3)5-4-14-7-13-6-8(11)9(10)12-13/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 295.23 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 168982285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).