2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane

C22H34F2O2 — CID 20599462

About 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane

2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane (PubChem CID 20599462) has the molecular formula C22H34F2O2 and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane.

Molecular Properties

• Compound Name: 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane
• PubChem CID: 20599462
• Molecular Formula: C22H34F2O2
• Molecular Weight: 368.51 g/mol
• Exact Mass: 368.25
• IUPAC Name: 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane
• SMILES: C=CC1CCC(CCC2CCC(C3COC(C=C(F)F)OC3)CC2)CC1
• InChI: InChI=1S/C22H34F2O2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)20-14-25-22(26-15-20)13-21(23)24/h2,13,16-20,22H,1,3-12,14-15H2
• InChIKey: MNJBHXVHADJNHC-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.51
LogP ≤ 5	6.33
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 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane?

The IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane (CID 20599462) is 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane.

What is the SMILES notation for 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane?

The canonical SMILES for 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane is C=CC1CCC(CCC2CCC(C3COC(C=C(F)F)OC3)CC2)CC1.

What is the InChIKey of 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane?

The InChIKey is MNJBHXVHADJNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F2O2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)20-14-25-22(26-15-20)13-21(23)24/h2,13,16-20,22H,1,3-12,14-15H2.

What are the key properties of 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane?

2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane has a molecular weight of 368.51 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 20599462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).