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

C22H34F2O2 — CID 20599462

IUPAC2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane
SMILESC=CC1CCC(CCC2CCC(C3COC(C=C(F)F)OC3)CC2)CC1
InChIInChI=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
InChIKeyMNJBHXVHADJNHC-UHFFFAOYSA-N
MW368.51 g/mol
LogP6.33
Rot. Bonds6

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 Name2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane
PubChem CID20599462
Molecular FormulaC22H34F2O2
Molecular Weight368.51 g/mol
Exact Mass368.25
IUPAC Name2-(2,2-difluoroethenyl)-5-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1,3-dioxane
SMILESC=CC1CCC(CCC2CCC(C3COC(C=C(F)F)OC3)CC2)CC1
InChIInChI=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
InChIKeyMNJBHXVHADJNHC-UHFFFAOYSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).