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

C12H18F2O2 — CID 20599538

IUPAC2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane
SMILESFC(F)=CC1CCC(C2OCCCO2)CC1
InChIInChI=1S/C12H18F2O2/c13-11(14)8-9-2-4-10(5-3-9)12-15-6-1-7-16-12/h8-10,12H,1-7H2
InChIKeyASODZPWEMZFRLE-UHFFFAOYSA-N
MW232.27 g/mol
LogP3.34
Rot. Bonds2

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

2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane (PubChem CID 20599538) has the molecular formula C12H18F2O2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane
PubChem CID20599538
Molecular FormulaC12H18F2O2
Molecular Weight232.27 g/mol
Exact Mass232.13
IUPAC Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane
SMILESFC(F)=CC1CCC(C2OCCCO2)CC1
InChIInChI=1S/C12H18F2O2/c13-11(14)8-9-2-4-10(5-3-9)12-15-6-1-7-16-12/h8-10,12H,1-7H2
InChIKeyASODZPWEMZFRLE-UHFFFAOYSA-N
XLogP3.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane?
The IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane (CID 20599538) is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane?
The canonical SMILES for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane is FC(F)=CC1CCC(C2OCCCO2)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane?
The InChIKey is ASODZPWEMZFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O2/c13-11(14)8-9-2-4-10(5-3-9)12-15-6-1-7-16-12/h8-10,12H,1-7H2.
What are the key properties of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane?
2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane has a molecular weight of 232.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 20599538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).