2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H22BFO3 — CID 79661221

IUPAC2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1
InChIInChI=1S/C15H22BFO3/c1-10(2)18-11-7-8-12(13(17)9-11)16-19-14(3,4)15(5,6)20-16/h7-10H,1-6H3
InChIKeyJAXVBAKRKKWGHG-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.91
Rot. Bonds3

About 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 79661221) has the molecular formula C15H22BFO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID79661221
Molecular FormulaC15H22BFO3
Molecular Weight280.15 g/mol
Exact Mass280.16
IUPAC Name2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1
InChIInChI=1S/C15H22BFO3/c1-10(2)18-11-7-8-12(13(17)9-11)16-19-14(3,4)15(5,6)20-16/h7-10H,1-6H3
InChIKeyJAXVBAKRKKWGHG-UHFFFAOYSA-N
XLogP2.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.91
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 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 79661221) is 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JAXVBAKRKKWGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BFO3/c1-10(2)18-11-7-8-12(13(17)9-11)16-19-14(3,4)15(5,6)20-16/h7-10H,1-6H3.
What are the key properties of 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 280.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 79661221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).