2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane

C13H23FO2 — CID 70492415

IUPAC2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(F)CC2)OC1
InChIInChI=1S/C13H23FO2/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h10-13H,2-9H2,1H3
InChIKeyMRXYOAOVAJGJQS-UHFFFAOYSA-N
MW230.32 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane

2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane (PubChem CID 70492415) has the molecular formula C13H23FO2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane
PubChem CID70492415
Molecular FormulaC13H23FO2
Molecular Weight230.32 g/mol
Exact Mass230.17
IUPAC Name2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(F)CC2)OC1
InChIInChI=1S/C13H23FO2/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h10-13H,2-9H2,1H3
InChIKeyMRXYOAOVAJGJQS-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorocyclohexyl)-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-fluorocyclohexyl)-5-propyl-1,3-dioxane?
The IUPAC name of 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane (CID 70492415) is 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane?
The canonical SMILES for 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane is CCCC1COC(C2CCC(F)CC2)OC1.
What is the InChIKey of 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane?
The InChIKey is MRXYOAOVAJGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2/c1-2-3-10-8-15-13(16-9-10)11-4-6-12(14)7-5-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane?
2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane has a molecular weight of 230.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-5-propyl-1,3-dioxane is sourced from PubChem (CID 70492415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).