[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid

C13H20BF3O3Si — CID 167733874

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cc(B(O)O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H20BF3O3Si/c1-12(2,3)21(4,5)20-11-7-9(13(15,16)17)6-10(8-11)14(18)19/h6-8,18-19H,1-5H3
InChIKeyYGLNUWILVLMWHL-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.77
Rot. Bonds3

About [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid

[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid (PubChem CID 167733874) has the molecular formula C13H20BF3O3Si and a molecular weight of 320.19 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid
PubChem CID167733874
Molecular FormulaC13H20BF3O3Si
Molecular Weight320.19 g/mol
Exact Mass320.12
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1cc(B(O)O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H20BF3O3Si/c1-12(2,3)21(4,5)20-11-7-9(13(15,16)17)6-10(8-11)14(18)19/h6-8,18-19H,1-5H3
InChIKeyYGLNUWILVLMWHL-UHFFFAOYSA-N
XLogP2.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-5-chlorophenyl]boronic acid
CID 150229464
[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
CID 167739118
[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethoxy)phenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 118856110
[3,5-bis(trifluoromethyl)phenyl]boronic acid;triethylsilane
CID 175349856
tert-butyl-[3-chloro-4-fluoro-5-(trifluoromethyl)phenoxy]-dimethylsilane
CID 125115885
[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane
CID 167715732
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol
CID 91727610
tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane
CID 125115821
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 123547238
tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
CID 59440862
N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 528739

Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid (CID 167733874) is [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid is CC(C)(C)[Si](C)(C)Oc1cc(B(O)O)cc(C(F)(F)F)c1.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid?
The InChIKey is YGLNUWILVLMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BF3O3Si/c1-12(2,3)21(4,5)20-11-7-9(13(15,16)17)6-10(8-11)14(18)19/h6-8,18-19H,1-5H3.
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid?
[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid has a molecular weight of 320.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid is sourced from PubChem (CID 167733874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).