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

C14H25FO2 — CID 70493724

IUPAC5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane
SMILESCCCCC1COC(C2CCC(F)CC2)OC1
InChIInChI=1S/C14H25FO2/c1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12/h11-14H,2-10H2,1H3
InChIKeyWARZKJIJEPSWCD-UHFFFAOYSA-N
MW244.35 g/mol
LogP3.69
Rot. Bonds4

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

5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane (PubChem CID 70493724) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane
PubChem CID70493724
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane
SMILESCCCCC1COC(C2CCC(F)CC2)OC1
InChIInChI=1S/C14H25FO2/c1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12/h11-14H,2-10H2,1H3
InChIKeyWARZKJIJEPSWCD-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexyl-1,3-dioxane
CID 11344247
5-Fluoro-5-propyl-2-(4-propylcyclohexyl)-1,3-dioxane
CID 15405275
2-[2-(4-Tert-butyl-1-fluorocyclohexyl)ethyl]-1,3-dioxane
CID 176437282
Cyclohexane, (diethoxymethyl)-
CID 10943197
(2,2-Diethoxyethyl)cyclohexane
CID 13163948
2-(cyclohexylmethoxy)tetrahydro-2H-pyran
CID 13184695
(2R,4R)-2,4,7-trimethyl-1,5-dioxaspiro[5.5]undecane
CID 13549633
(2R,4R,11S)-2,4,11-trimethyl-1,5-dioxaspiro[5.5]undecane
CID 13549634
2-(2-Cyclohexylethyl)-1,3-dioxane
CID 13801295
2-(4-Fluorocyclohexyl)-5-pentyl-1,3-dioxane
CID 189247
2-(2-Fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane
CID 18344141
2-(2-Fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane
CID 18344143

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane?
The IUPAC name of 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane (CID 70493724) is 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane.
What is the SMILES notation for 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane?
The canonical SMILES for 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane is CCCCC1COC(C2CCC(F)CC2)OC1.
What is the InChIKey of 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane?
The InChIKey is WARZKJIJEPSWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-2-3-4-11-9-16-14(17-10-11)12-5-7-13(15)8-6-12/h11-14H,2-10H2,1H3.
What are the key properties of 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane?
5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane has a molecular weight of 244.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-fluorocyclohexyl)-1,3-dioxane is sourced from PubChem (CID 70493724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).