2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane

C15H25FO2 — CID 22876099

IUPAC2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C15H25FO2/c1-2-3-13-10-17-15(18-11-13)9-6-12-4-7-14(16)8-5-12/h7,12-13,15H,2-6,8-11H2,1H3
InChIKeyHNCKOEYUKMLRBF-UHFFFAOYSA-N
MW256.36 g/mol
LogP4.21
Rot. Bonds5

About 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane

2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane (PubChem CID 22876099) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane
PubChem CID22876099
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Name2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C15H25FO2/c1-2-3-13-10-17-15(18-11-13)9-6-12-4-7-14(16)8-5-12/h7,12-13,15H,2-6,8-11H2,1H3
InChIKeyHNCKOEYUKMLRBF-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-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-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane?
The IUPAC name of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane (CID 22876099) is 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane is CCCC1COC(CCC2CC=C(F)CC2)OC1.
What is the InChIKey of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane?
The InChIKey is HNCKOEYUKMLRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO2/c1-2-3-13-10-17-15(18-11-13)9-6-12-4-7-14(16)8-5-12/h7,12-13,15H,2-6,8-11H2,1H3.
What are the key properties of 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane?
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane has a molecular weight of 256.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 22876099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).