2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane

C18H27FN2OSi2 — CID 140874189

IUPAC2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C
InChIInChI=1S/C18H27FN2OSi2/c1-23(2,3)11-9-15-7-8-17-16(13-15)18(19)20-21(17)14-22-10-12-24(4,5)6/h7-8,13H,10,12,14H2,1-6H3
InChIKeyQJXNRSJQCMXYFB-UHFFFAOYSA-N
MW362.60 g/mol
LogP4.72
Rot. Bonds5

About 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane

2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane (PubChem CID 140874189) has the molecular formula C18H27FN2OSi2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane
PubChem CID140874189
Molecular FormulaC18H27FN2OSi2
Molecular Weight362.60 g/mol
Exact Mass362.16
IUPAC Name2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C
InChIInChI=1S/C18H27FN2OSi2/c1-23(2,3)11-9-15-7-8-17-16(13-15)18(19)20-21(17)14-22-10-12-24(4,5)6/h7-8,13H,10,12,14H2,1-6H3
InChIKeyQJXNRSJQCMXYFB-UHFFFAOYSA-N
XLogP4.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 54.72
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane (CID 140874189) is 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane?
The InChIKey is QJXNRSJQCMXYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2OSi2/c1-23(2,3)11-9-15-7-8-17-16(13-15)18(19)20-21(17)14-22-10-12-24(4,5)6/h7-8,13H,10,12,14H2,1-6H3.
What are the key properties of 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane?
2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane has a molecular weight of 362.60 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 140874189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).