[4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid

C12H19BF2O3Si — CID 54758868

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)c(F)c1F
InChIInChI=1S/C12H19BF2O3Si/c1-12(2,3)19(4,5)18-9-7-6-8(13(16)17)10(14)11(9)15/h6-7,16-17H,1-5H3
InChIKeyDODXXNHIJRLFAF-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.03
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid

[4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid (PubChem CID 54758868) has the molecular formula C12H19BF2O3Si and a molecular weight of 288.18 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid
PubChem CID54758868
Molecular FormulaC12H19BF2O3Si
Molecular Weight288.18 g/mol
Exact Mass288.12
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)c(F)c1F
InChIInChI=1S/C12H19BF2O3Si/c1-12(2,3)19(4,5)18-9-7-6-8(13(16)17)10(14)11(9)15/h6-7,16-17H,1-5H3
InChIKeyDODXXNHIJRLFAF-UHFFFAOYSA-N
XLogP2.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-Butyldimethylsilyloxy)phenylboronic Acid (contains varying amounts of Anhydride)
CID 11107815
3-(tert-Butyldimethylsilyloxy)phenylboronic Acid
CID 3463029
tert-Butyl(4-fluorophenoxy)dimethylsilane
CID 13683074
(4-Fluoro-phenoxy)-trimethyl-silane
CID 19261578
Isopropyl(dimethyl)phenoxysilane
CID 522069
tert-Butyldimethylphenoxysilane
CID 529235
tert-Butyl(2-fluorophenoxy)dimethylsilane
CID 597214
(2-Fluorophenoxy)-trimethylsilane
CID 15716191
tert-Butyl(2,5-difluorophenoxy)dimethylsilane
CID 11230299
Tert-butyl-(4-fluoro-2-iodophenoxy)-dimethylsilane
CID 22621320
3-(T-Butyldimethylsilyloxy)-2-fluorophenylboronic acid
CID 53216501
(3-Fluorophenoxy)trimethylsilane
CID 134894923

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid (CID 54758868) is [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid is CC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)c(F)c1F.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid?
The InChIKey is DODXXNHIJRLFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BF2O3Si/c1-12(2,3)19(4,5)18-9-7-6-8(13(16)17)10(14)11(9)15/h6-7,16-17H,1-5H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid?
[4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid has a molecular weight of 288.18 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid is sourced from PubChem (CID 54758868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).