[4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid

C11H14BFO2Si — CID 168984899

IUPAC[4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid
SMILESC[Si](C)(C)C#Cc1cc(F)ccc1B(O)O
InChIInChI=1S/C11H14BFO2Si/c1-16(2,3)7-6-9-8-10(13)4-5-11(9)12(14)15/h4-5,8,14-15H,1-3H3
InChIKeyGYCAUVNISINFAV-UHFFFAOYSA-N
MW236.13 g/mol
LogP0.73
Rot. Bonds1

About [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid

[4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid (PubChem CID 168984899) has the molecular formula C11H14BFO2Si and a molecular weight of 236.13 g/mol. Its IUPAC name is [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid
PubChem CID168984899
Molecular FormulaC11H14BFO2Si
Molecular Weight236.13 g/mol
Exact Mass236.08
IUPAC Name[4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid
SMILESC[Si](C)(C)C#Cc1cc(F)ccc1B(O)O
InChIInChI=1S/C11H14BFO2Si/c1-16(2,3)7-6-9-8-10(13)4-5-11(9)12(14)15/h4-5,8,14-15H,1-3H3
InChIKeyGYCAUVNISINFAV-UHFFFAOYSA-N
XLogP0.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-fluorophenyl)ethynyl-trimethylsilane
CID 168984861
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 102134851
ethynyl(trimethyl)silane;4-fluoro-2-iodoaniline;4-fluoro-2-(2-trimethylsilylethynyl)aniline
CID 159717629
(2-amino-4-fluorophenyl)boronic acid
CID 68784088
2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane
CID 170905430
(4-fluoro-2-methylsulfanylphenyl)boronic acid
CID 53216523
(2-ethyl-4-fluorophenyl)boronic acid
CID 90206315
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 5249685
6-fluoro-3,3-dimethyl-1-(2-trimethylsilylethynyl)isoquinolin-4-one
CID 140898393
(2-acetamido-4-fluorophenyl)boronic acid
CID 67417206
(2,5-difluorophenyl)boronic acid;(2,6-difluorophenyl)boronic acid
CID 67115134

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid?
The IUPAC name of [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid (CID 168984899) is [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid.
What is the SMILES notation for [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid?
The canonical SMILES for [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid is C[Si](C)(C)C#Cc1cc(F)ccc1B(O)O.
What is the InChIKey of [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid?
The InChIKey is GYCAUVNISINFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BFO2Si/c1-16(2,3)7-6-9-8-10(13)4-5-11(9)12(14)15/h4-5,8,14-15H,1-3H3.
What are the key properties of [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid?
[4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid has a molecular weight of 236.13 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(2-trimethylsilylethynyl)phenyl]boronic acid is sourced from PubChem (CID 168984899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).