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

C23H38F2O2 — CID 20599453

IUPAC2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane
SMILESCCCC1CCC(C2CCC(CCC3COC(C=C(F)F)OC3)CC2)CC1
InChIInChI=1S/C23H38F2O2/c1-2-3-17-6-10-20(11-7-17)21-12-8-18(9-13-21)4-5-19-15-26-23(27-16-19)14-22(24)25/h14,17-21,23H,2-13,15-16H2,1H3
InChIKeyVXAZYVPHJZBIOP-UHFFFAOYSA-N
MW384.55 g/mol
LogP6.95
Rot. Bonds7

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

2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane (PubChem CID 20599453) has the molecular formula C23H38F2O2 and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane
PubChem CID20599453
Molecular FormulaC23H38F2O2
Molecular Weight384.55 g/mol
Exact Mass384.28
IUPAC Name2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane
SMILESCCCC1CCC(C2CCC(CCC3COC(C=C(F)F)OC3)CC2)CC1
InChIInChI=1S/C23H38F2O2/c1-2-3-17-6-10-20(11-7-17)21-12-8-18(9-13-21)4-5-19-15-26-23(27-16-19)14-22(24)25/h14,17-21,23H,2-13,15-16H2,1H3
InChIKeyVXAZYVPHJZBIOP-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-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-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane?
The IUPAC name of 2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane (CID 20599453) is 2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane is CCCC1CCC(C2CCC(CCC3COC(C=C(F)F)OC3)CC2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane?
The InChIKey is VXAZYVPHJZBIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38F2O2/c1-2-3-17-6-10-20(11-7-17)21-12-8-18(9-13-21)4-5-19-15-26-23(27-16-19)14-22(24)25/h14,17-21,23H,2-13,15-16H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane?
2-(2,2-difluoroethenyl)-5-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane has a molecular weight of 384.55 g/mol, XLogP of 6.95, 7 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-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]-1,3-dioxane is sourced from PubChem (CID 20599453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).