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

C20H32F2O2 — CID 20599497

IUPAC2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane
SMILESFC(F)=CC1CCC(C2CCC(CCC3OCCCO3)CC2)CC1
InChIInChI=1S/C20H32F2O2/c21-19(22)14-16-4-9-18(10-5-16)17-7-2-15(3-8-17)6-11-20-23-12-1-13-24-20/h14-18,20H,1-13H2
InChIKeyVJRKRXYQJOOJFD-UHFFFAOYSA-N
MW342.47 g/mol
LogP5.92
Rot. Bonds5

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

2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane (PubChem CID 20599497) has the molecular formula C20H32F2O2 and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane
PubChem CID20599497
Molecular FormulaC20H32F2O2
Molecular Weight342.47 g/mol
Exact Mass342.24
IUPAC Name2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane
SMILESFC(F)=CC1CCC(C2CCC(CCC3OCCCO3)CC2)CC1
InChIInChI=1S/C20H32F2O2/c21-19(22)14-16-4-9-18(10-5-16)17-7-2-15(3-8-17)6-11-20-23-12-1-13-24-20/h14-18,20H,1-13H2
InChIKeyVJRKRXYQJOOJFD-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane (CID 20599497) is 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane is FC(F)=CC1CCC(C2CCC(CCC3OCCCO3)CC2)CC1.
What is the InChIKey of 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane?
The InChIKey is VJRKRXYQJOOJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2O2/c21-19(22)14-16-4-9-18(10-5-16)17-7-2-15(3-8-17)6-11-20-23-12-1-13-24-20/h14-18,20H,1-13H2.
What are the key properties of 2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane?
2-[2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-dioxane has a molecular weight of 342.47 g/mol, XLogP of 5.92, 5 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]-1,3-dioxane is sourced from PubChem (CID 20599497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).