[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane

C15H24BFO3Si — CID 167737077

IUPAC[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane
SMILESCC1(C)OB(c2cccc(F)c2O[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C15H24BFO3Si/c1-14(2)15(3,4)20-16(19-14)11-9-8-10-12(17)13(11)18-21(5,6)7/h8-10H,1-7H3
InChIKeyGMLRADNJSZTMAC-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.34
Rot. Bonds3

About [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane

[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane (PubChem CID 167737077) has the molecular formula C15H24BFO3Si and a molecular weight of 310.25 g/mol. Its IUPAC name is [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane
PubChem CID167737077
Molecular FormulaC15H24BFO3Si
Molecular Weight310.25 g/mol
Exact Mass310.16
IUPAC Name[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane
SMILESCC1(C)OB(c2cccc(F)c2O[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C15H24BFO3Si/c1-14(2)15(3,4)20-16(19-14)11-9-8-10-12(17)13(11)18-21(5,6)7/h8-10H,1-7H3
InChIKeyGMLRADNJSZTMAC-UHFFFAOYSA-N
XLogP3.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluorodibenzofuran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170931267
2-[4-(2,6-difluorophenyl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153474188
methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 67086691
1-[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 100913450
3-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
CID 154727807
2-(7,8-difluoronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155630229
N-[[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 75487258
1-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
CID 171096178
2-(2-ethoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156594171
tris[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]bismuthane
CID 138972801
tert-butyl-[7-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-dimethylsilane
CID 122360587
3-methoxy-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
CID 159455215

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane?
The IUPAC name of [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane (CID 167737077) is [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane.
What is the SMILES notation for [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane?
The canonical SMILES for [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane is CC1(C)OB(c2cccc(F)c2O[Si](C)(C)C)OC1(C)C.
What is the InChIKey of [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane?
The InChIKey is GMLRADNJSZTMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BFO3Si/c1-14(2)15(3,4)20-16(19-14)11-9-8-10-12(17)13(11)18-21(5,6)7/h8-10H,1-7H3.
What are the key properties of [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane?
[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane has a molecular weight of 310.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane is sourced from PubChem (CID 167737077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).