tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane

C20H31BFNO2Si — CID 122360587

IUPACtert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane
SMILESCC1(C)OB(c2cn([Si](C)(C)C(C)(C)C)c3c(F)cccc23)OC1(C)C
InChIInChI=1S/C20H31BFNO2Si/c1-18(2,3)26(8,9)23-13-15(14-11-10-12-16(22)17(14)23)21-24-19(4,5)20(6,7)25-21/h10-13H,1-9H3
InChIKeyODNDBSLZKPPJRC-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.93
Rot. Bonds2

About tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane

tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane (PubChem CID 122360587) has the molecular formula C20H31BFNO2Si and a molecular weight of 375.37 g/mol. Its IUPAC name is tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane
PubChem CID122360587
Molecular FormulaC20H31BFNO2Si
Molecular Weight375.37 g/mol
Exact Mass375.22
IUPAC Nametert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane
SMILESCC1(C)OB(c2cn([Si](C)(C)C(C)(C)C)c3c(F)cccc23)OC1(C)C
InChIInChI=1S/C20H31BFNO2Si/c1-18(2,3)26(8,9)23-13-15(14-11-10-12-16(22)17(14)23)21-24-19(4,5)20(6,7)25-21/h10-13H,1-9H3
InChIKeyODNDBSLZKPPJRC-UHFFFAOYSA-N
XLogP4.93
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane (CID 122360587) is tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane is CC1(C)OB(c2cn([Si](C)(C)C(C)(C)C)c3c(F)cccc23)OC1(C)C.
What is the InChIKey of tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane?
The InChIKey is ODNDBSLZKPPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BFNO2Si/c1-18(2,3)26(8,9)23-13-15(14-11-10-12-16(22)17(14)23)21-24-19(4,5)20(6,7)25-21/h10-13H,1-9H3.
What are the key properties of tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane?
tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane has a molecular weight of 375.37 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane is sourced from PubChem (CID 122360587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).