2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H22BFO3 — CID 75356281

IUPAC2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F
InChIInChI=1S/C15H22BFO3/c1-6-18-10-11-7-8-12(9-13(11)17)16-19-14(2,3)15(4,5)20-16/h7-9H,6,10H2,1-5H3
InChIKeyXUXUMFJGQLOECD-UHFFFAOYSA-N
MW280.15 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 75356281) has the molecular formula C15H22BFO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID75356281
Molecular FormulaC15H22BFO3
Molecular Weight280.15 g/mol
Exact Mass280.16
IUPAC Name2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F
InChIInChI=1S/C15H22BFO3/c1-6-18-10-11-7-8-12(9-13(11)17)16-19-14(2,3)15(4,5)20-16/h7-9H,6,10H2,1-5H3
InChIKeyXUXUMFJGQLOECD-UHFFFAOYSA-N
XLogP2.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 52.66
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

Benzyl butyl ether
CID 61134
4-(Hydroxymethyl)benzeneboronic acid pinacol ester
CID 11402050
[(2-Methoxyethoxy)methyl]benzene
CID 35855
Benzyl tert-butyl ether
CID 561155
(4-Fluorophenyl) methanol, tert.-butyl ether
CID 11830064
Benzene, [(pentyloxy)methyl]-
CID 80800
Benzyl hexyl ether
CID 3587332
2-(Methoxymethyl)benzeneboronic acid
CID 3759408
(E)-2-(3-(benzyloxy)prop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14141556
[[(3Z)-3-Hexenyloxy]methyl]benzene
CID 14907428
4,4,5,5-Tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 67968775
2-(2-(1,3-Dioxolan-2-yl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 129321373

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 75356281) is 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F.
What is the InChIKey of 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XUXUMFJGQLOECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BFO3/c1-6-18-10-11-7-8-12(9-13(11)17)16-19-14(2,3)15(4,5)20-16/h7-9H,6,10H2,1-5H3.
What are the key properties of 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 280.15 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 75356281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).