4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine

C₁₄H₂₅BFNO₂ — CID 171114021

About 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine

4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine (PubChem CID 171114021) has the molecular formula C₁₄H₂₅BFNO₂ and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine.

Molecular Properties

• Compound Name: 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine
• PubChem CID: 171114021
• Molecular Formula: C₁₄H₂₅BFNO₂
• Molecular Weight: 269.17 g/mol
• Exact Mass: 269.20
• IUPAC Name: 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine
• SMILES: CC(=C(F)B1OC(C)(C)C(C)(C)O1)C1CCNCC1
• InChI: InChI=1S/C14H25BFNO2/c1-10(11-6-8-17-9-7-11)12(16)15-18-13(2,3)14(4,5)19-15/h11,17H,6-9H2,1-5H3
• InChIKey: VZBVKEYZKHMWPM-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.17
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine?

The IUPAC name of 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine (CID 171114021) is 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine.

What is the SMILES notation for 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine?

The canonical SMILES for 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine is CC(=C(F)B1OC(C)(C)C(C)(C)O1)C1CCNCC1.

What is the InChIKey of 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine?

The InChIKey is VZBVKEYZKHMWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BFNO2/c1-10(11-6-8-17-9-7-11)12(16)15-18-13(2,3)14(4,5)19-15/h11,17H,6-9H2,1-5H3.

What are the key properties of 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine?

4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine has a molecular weight of 269.17 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-fluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]piperidine is sourced from PubChem (CID 171114021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171114021 — identifiers, structure, computed properties (public domain)

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