tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane

C19H32BFO3Si — CID 135023883

IUPACtert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
SMILESCC1(C)OB(c2ccc(CO[Si](C)(C)C(C)(C)C)cc2F)OC1(C)C
InChIInChI=1S/C19H32BFO3Si/c1-17(2,3)25(8,9)22-13-14-10-11-15(16(21)12-14)20-23-18(4,5)19(6,7)24-20/h10-12H,13H2,1-9H3
InChIKeyCXELIOMMYXXJFN-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane (PubChem CID 135023883) has the molecular formula C19H32BFO3Si and a molecular weight of 366.36 g/mol. Its IUPAC name is tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
PubChem CID135023883
Molecular FormulaC19H32BFO3Si
Molecular Weight366.36 g/mol
Exact Mass366.22
IUPAC Nametert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
SMILESCC1(C)OB(c2ccc(CO[Si](C)(C)C(C)(C)C)cc2F)OC1(C)C
InChIInChI=1S/C19H32BFO3Si/c1-17(2,3)25(8,9)22-13-14-10-11-15(16(21)12-14)20-23-18(4,5)19(6,7)24-20/h10-12H,13H2,1-9H3
InChIKeyCXELIOMMYXXJFN-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
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 tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane (CID 135023883) is tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane is CC1(C)OB(c2ccc(CO[Si](C)(C)C(C)(C)C)cc2F)OC1(C)C.
What is the InChIKey of tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane?
The InChIKey is CXELIOMMYXXJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BFO3Si/c1-17(2,3)25(8,9)22-13-14-10-11-15(16(21)12-14)20-23-18(4,5)19(6,7)24-20/h10-12H,13H2,1-9H3.
What are the key properties of tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 135023883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).