3-but-2-enoxy-2-fluoro-6-propoxyoctane

C₁₅H₂₉FO₂ — CID 139472286

About 3-but-2-enoxy-2-fluoro-6-propoxyoctane

3-but-2-enoxy-2-fluoro-6-propoxyoctane (PubChem CID 139472286) has the molecular formula C₁₅H₂₉FO₂ and a molecular weight of 260.39 g/mol. Its IUPAC name is 3-but-2-enoxy-2-fluoro-6-propoxyoctane.

Molecular Properties

• Compound Name: 3-but-2-enoxy-2-fluoro-6-propoxyoctane
• PubChem CID: 139472286
• Molecular Formula: C₁₅H₂₉FO₂
• Molecular Weight: 260.39 g/mol
• Exact Mass: 260.22
• IUPAC Name: 3-but-2-enoxy-2-fluoro-6-propoxyoctane
• SMILES: CC=CCOC(CCC(CC)OCCC)C(C)F
• InChI: InChI=1S/C15H29FO2/c1-5-8-12-18-15(13(4)16)10-9-14(7-3)17-11-6-2/h5,8,13-15H,6-7,9-12H2,1-4H3
• InChIKey: LZRCMNXEKRTXDO-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.39
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enoxy-2-fluoro-6-propoxyoctane?

The IUPAC name of 3-but-2-enoxy-2-fluoro-6-propoxyoctane (CID 139472286) is 3-but-2-enoxy-2-fluoro-6-propoxyoctane.

What is the SMILES notation for 3-but-2-enoxy-2-fluoro-6-propoxyoctane?

The canonical SMILES for 3-but-2-enoxy-2-fluoro-6-propoxyoctane is CC=CCOC(CCC(CC)OCCC)C(C)F.

What is the InChIKey of 3-but-2-enoxy-2-fluoro-6-propoxyoctane?

The InChIKey is LZRCMNXEKRTXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO2/c1-5-8-12-18-15(13(4)16)10-9-14(7-3)17-11-6-2/h5,8,13-15H,6-7,9-12H2,1-4H3.

What are the key properties of 3-but-2-enoxy-2-fluoro-6-propoxyoctane?

3-but-2-enoxy-2-fluoro-6-propoxyoctane has a molecular weight of 260.39 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-but-2-enoxy-2-fluoro-6-propoxyoctane is sourced from PubChem (CID 139472286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139472286 — identifiers, structure, computed properties (public domain)

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