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

C15H24F2O2 — CID 20599557

IUPAC2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(C=C(F)F)CC2)OC1
InChIInChI=1S/C15H24F2O2/c1-2-3-12-9-18-15(19-10-12)13-6-4-11(5-7-13)8-14(16)17/h8,11-13,15H,2-7,9-10H2,1H3
InChIKeyOKARDAPMPHVHJX-UHFFFAOYSA-N
MW274.35 g/mol
LogP4.36
Rot. Bonds4

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

2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane (PubChem CID 20599557) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane
PubChem CID20599557
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(C=C(F)F)CC2)OC1
InChIInChI=1S/C15H24F2O2/c1-2-3-12-9-18-15(19-10-12)13-6-4-11(5-7-13)8-14(16)17/h8,11-13,15H,2-7,9-10H2,1H3
InChIKeyOKARDAPMPHVHJX-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-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-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The IUPAC name of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane (CID 20599557) is 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane is CCCC1COC(C2CCC(C=C(F)F)CC2)OC1.
What is the InChIKey of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The InChIKey is OKARDAPMPHVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-2-3-12-9-18-15(19-10-12)13-6-4-11(5-7-13)8-14(16)17/h8,11-13,15H,2-7,9-10H2,1H3.
What are the key properties of 2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane?
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyl-1,3-dioxane has a molecular weight of 274.35 g/mol, XLogP of 4.36, 4 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]-5-propyl-1,3-dioxane is sourced from PubChem (CID 20599557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).