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

C22H34F2O2 — CID 20599500

IUPAC2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane
SMILESC=CC1COC(CCC2CCC(C3CCC(C=C(F)F)CC3)CC2)OC1
InChIInChI=1S/C22H34F2O2/c1-2-16-14-25-22(26-15-16)12-7-17-3-8-19(9-4-17)20-10-5-18(6-11-20)13-21(23)24/h2,13,16-20,22H,1,3-12,14-15H2
InChIKeyZNBYOUJSFRZGTJ-UHFFFAOYSA-N
MW368.51 g/mol
LogP6.33
Rot. Bonds6

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

2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane (PubChem CID 20599500) has the molecular formula C22H34F2O2 and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane
PubChem CID20599500
Molecular FormulaC22H34F2O2
Molecular Weight368.51 g/mol
Exact Mass368.25
IUPAC Name2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane
SMILESC=CC1COC(CCC2CCC(C3CCC(C=C(F)F)CC3)CC2)OC1
InChIInChI=1S/C22H34F2O2/c1-2-16-14-25-22(26-15-16)12-7-17-3-8-19(9-4-17)20-10-5-18(6-11-20)13-21(23)24/h2,13,16-20,22H,1,3-12,14-15H2
InChIKeyZNBYOUJSFRZGTJ-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane?
The IUPAC name of 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane (CID 20599500) is 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane.
What is the SMILES notation for 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane?
The canonical SMILES for 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane is C=CC1COC(CCC2CCC(C3CCC(C=C(F)F)CC3)CC2)OC1.
What is the InChIKey of 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane?
The InChIKey is ZNBYOUJSFRZGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F2O2/c1-2-16-14-25-22(26-15-16)12-7-17-3-8-19(9-4-17)20-10-5-18(6-11-20)13-21(23)24/h2,13,16-20,22H,1,3-12,14-15H2.
What are the key properties of 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane?
2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-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-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-5-ethenyl-1,3-dioxane is sourced from PubChem (CID 20599500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).