tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane

C11H21FN2OSi — CID 154722276

IUPACtert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(F)cn1
InChIInChI=1S/C11H21FN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3
InChIKeyCRHBXEHLWMPAOQ-UHFFFAOYSA-N
MW244.39 g/mol
LogP3.04
Rot. Bonds4

About tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane

tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane (PubChem CID 154722276) has the molecular formula C11H21FN2OSi and a molecular weight of 244.39 g/mol. Its IUPAC name is tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane
PubChem CID154722276
Molecular FormulaC11H21FN2OSi
Molecular Weight244.39 g/mol
Exact Mass244.14
IUPAC Nametert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(F)cn1
InChIInChI=1S/C11H21FN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3
InChIKeyCRHBXEHLWMPAOQ-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-fluoro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole
CID 90419535
Tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane
CID 154722332
4-Iodo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazole
CID 21707090
4-Bromo-1-(2-(T-butyldimethylsilyloxy)ethyl)pyrazole
CID 46739778
4-Bromo-1-[2-[(tert-butyldimethylsilyl)oxy]-2-methylpropyl]-1H-pyrazole
CID 154722544
5-Fluoro-1-(2-methoxyethyl)-4-methylpyrazole
CID 123486075
4-Fluoro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazole
CID 153571653
4-Bromo-3-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
CID 154791879
2-(4-Fluoropyrazol-1-yl)ethynyl-tri(propan-2-yl)silane
CID 164546276
5-fluoro-4-iodo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole
CID 165897937
2-[1-(4-Bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane
CID 168867920
2-[1-(5-Fluoro-4-iodopyrazol-1-yl)ethoxy]ethyl-trimethylsilane
CID 168867940

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane (CID 154722276) is tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1cc(F)cn1.
What is the InChIKey of tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane?
The InChIKey is CRHBXEHLWMPAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2OSi/c1-11(2,3)16(4,5)15-7-6-14-9-10(12)8-13-14/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane?
tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane has a molecular weight of 244.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane is sourced from PubChem (CID 154722276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).