2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H30BFO2 — CID 171114488

About 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171114488) has the molecular formula C17H30BFO2 and a molecular weight of 296.23 g/mol. Its IUPAC name is 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 171114488
• Molecular Formula: C17H30BFO2
• Molecular Weight: 296.23 g/mol
• Exact Mass: 296.23
• IUPAC Name: 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC(C)C[C@H]1CCCCC1=C(F)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C17H30BFO2/c1-12(2)11-13-9-7-8-10-14(13)15(19)18-20-16(3,4)17(5,6)21-18/h12-13H,7-11H2,1-6H3/t13-/m1/s1
• InChIKey: QUUBHVJPDOXALC-CYBMUJFWSA-N
• XLogP: 5.08
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	296.23
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171114488) is 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)C[C@H]1CCCCC1=C(F)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is QUUBHVJPDOXALC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H30BFO2/c1-12(2)11-13-9-7-8-10-14(13)15(19)18-20-16(3,4)17(5,6)21-18/h12-13H,7-11H2,1-6H3/t13-/m1/s1.

What are the key properties of 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.23 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[fluoro-[(2R)-2-(2-methylpropyl)cyclohexylidene]methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171114488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).