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

C17H31FO2 — CID 18344143

IUPAC2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane
SMILESCCCCCC1CCC(C2COC(CCF)OC2)CC1
InChIInChI=1S/C17H31FO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-12-19-17(10-11-18)20-13-16/h14-17H,2-13H2,1H3
InChIKeyPFWRQIXVKZPJAU-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.72
Rot. Bonds7

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

2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane (PubChem CID 18344143) has the molecular formula C17H31FO2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane
PubChem CID18344143
Molecular FormulaC17H31FO2
Molecular Weight286.43 g/mol
Exact Mass286.23
IUPAC Name2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane
SMILESCCCCCC1CCC(C2COC(CCF)OC2)CC1
InChIInChI=1S/C17H31FO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-12-19-17(10-11-18)20-13-16/h14-17H,2-13H2,1H3
InChIKeyPFWRQIXVKZPJAU-UHFFFAOYSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
2-(2-Cyclohexylethyl)-1,3-dioxane
CID 13801295
2-(4-Fluorocyclohexyl)-5-pentyl-1,3-dioxane
CID 189247
2,2-Difluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 15389999
5-Fluoro-5-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)-1,3-dioxane
CID 17781232
2-(2-Fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 18344137
2-(2-Fluoroethyl)-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 18344139
2-(2-Fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane
CID 18344141
2-(2-Fluoroethyl)-5-(4-propylcyclohexyl)-1,3-dioxane
CID 18344144
2-[4-(2-Fluoroethyl)cyclohexyl]-5-(4-methylcyclohexyl)-1,3-dioxane
CID 18344175
2-[4-(2-Fluoroethyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 18344177

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane?
The IUPAC name of 2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane (CID 18344143) is 2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane is CCCCCC1CCC(C2COC(CCF)OC2)CC1.
What is the InChIKey of 2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane?
The InChIKey is PFWRQIXVKZPJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-12-19-17(10-11-18)20-13-16/h14-17H,2-13H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane?
2-(2-fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane has a molecular weight of 286.43 g/mol, XLogP of 4.72, 7 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-pentylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 18344143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).