5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane

C18H28F4O2 — CID 123381650

IUPAC5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
SMILESCCCC1CCC(CCC2COC(C(F)=CC(F)(F)F)OC2)CC1
InChIInChI=1S/C18H28F4O2/c1-2-3-13-4-6-14(7-5-13)8-9-15-11-23-17(24-12-15)16(19)10-18(20,21)22/h10,13-15,17H,2-9,11-12H2,1H3
InChIKeyFCZCXLHBWXQSAN-UHFFFAOYSA-N
MW352.41 g/mol
LogP5.78
Rot. Bonds6

About 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane

5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane (PubChem CID 123381650) has the molecular formula C18H28F4O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane.

Molecular Properties

Compound Name5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
PubChem CID123381650
Molecular FormulaC18H28F4O2
Molecular Weight352.41 g/mol
Exact Mass352.20
IUPAC Name5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
SMILESCCCC1CCC(CCC2COC(C(F)=CC(F)(F)F)OC2)CC1
InChIInChI=1S/C18H28F4O2/c1-2-3-13-4-6-14(7-5-13)8-9-15-11-23-17(24-12-15)16(19)10-18(20,21)22/h10,13-15,17H,2-9,11-12H2,1H3
InChIKeyFCZCXLHBWXQSAN-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-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

Related Compounds

5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane
CID 123343356
5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane
CID 123450659
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
5-(4-propylphenyl)-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
CID 123339766
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-propylcyclohexyl)-1,3-dioxane
CID 20599965
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599518
[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate
CID 123266677
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599483
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599496
[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 123669151
2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
2,2,2-trifluoro-1-[[4-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]cyclohexyl]methoxy]ethanol
CID 154530749

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane?
The IUPAC name of 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane (CID 123381650) is 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane.
What is the SMILES notation for 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane?
The canonical SMILES for 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane is CCCC1CCC(CCC2COC(C(F)=CC(F)(F)F)OC2)CC1.
What is the InChIKey of 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane?
The InChIKey is FCZCXLHBWXQSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F4O2/c1-2-3-13-4-6-14(7-5-13)8-9-15-11-23-17(24-12-15)16(19)10-18(20,21)22/h10,13-15,17H,2-9,11-12H2,1H3.
What are the key properties of 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane?
5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane has a molecular weight of 352.41 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane is sourced from PubChem (CID 123381650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).