[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid

C14H21BFNO2Si — CID 57417002

IUPAC[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid
SMILESCC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)c(F)ccc21
InChIInChI=1S/C14H21BFNO2Si/c1-14(2,3)20(4,5)17-9-8-10-12(17)7-6-11(16)13(10)15(18)19/h6-9,18-19H,1-5H3
InChIKeyCQVAQTRJECVDQH-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.31
Rot. Bonds2

About [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid

[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid (PubChem CID 57417002) has the molecular formula C14H21BFNO2Si and a molecular weight of 293.22 g/mol. Its IUPAC name is [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid.

Molecular Properties

Compound Name[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid
PubChem CID57417002
Molecular FormulaC14H21BFNO2Si
Molecular Weight293.22 g/mol
Exact Mass293.14
IUPAC Name[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid
SMILESCC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)c(F)ccc21
InChIInChI=1S/C14H21BFNO2Si/c1-14(2,3)20(4,5)17-9-8-10-12(17)7-6-11(16)13(10)15(18)19/h6-9,18-19H,1-5H3
InChIKeyCQVAQTRJECVDQH-UHFFFAOYSA-N
XLogP2.31
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
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 [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid?
The IUPAC name of [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid (CID 57417002) is [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid.
What is the SMILES notation for [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid?
The canonical SMILES for [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid is CC(C)(C)[Si](C)(C)n1ccc2c(B(O)O)c(F)ccc21.
What is the InChIKey of [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid?
The InChIKey is CQVAQTRJECVDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BFNO2Si/c1-14(2,3)20(4,5)17-9-8-10-12(17)7-6-11(16)13(10)15(18)19/h6-9,18-19H,1-5H3.
What are the key properties of [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid?
[1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid has a molecular weight of 293.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[tert-butyl(dimethyl)silyl]-5-fluoroindol-4-yl]boronic acid is sourced from PubChem (CID 57417002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).