2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane

C15H27FO2 — CID 18344144

IUPAC2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2COC(CCF)OC2)CC1
InChIInChI=1S/C15H27FO2/c1-2-3-12-4-6-13(7-5-12)14-10-17-15(8-9-16)18-11-14/h12-15H,2-11H2,1H3
InChIKeyYXZWLPJODKJRLA-UHFFFAOYSA-N
MW258.38 g/mol
LogP3.94
Rot. Bonds5

About 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane

2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane (PubChem CID 18344144) has the molecular formula C15H27FO2 and a molecular weight of 258.38 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane
PubChem CID18344144
Molecular FormulaC15H27FO2
Molecular Weight258.38 g/mol
Exact Mass258.20
IUPAC Name2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2COC(CCF)OC2)CC1
InChIInChI=1S/C15H27FO2/c1-2-3-12-4-6-13(7-5-12)14-10-17-15(8-9-16)18-11-14/h12-15H,2-11H2,1H3
InChIKeyYXZWLPJODKJRLA-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane?
The IUPAC name of 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane (CID 18344144) is 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane is CCCC1CCC(C2COC(CCF)OC2)CC1.
What is the InChIKey of 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane?
The InChIKey is YXZWLPJODKJRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FO2/c1-2-3-12-4-6-13(7-5-12)14-10-17-15(8-9-16)18-11-14/h12-15H,2-11H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane?
2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane has a molecular weight of 258.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 18344144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).