2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane

C19H33FO2 — CID 18344137

IUPAC2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
SMILESCC1CCC(C2CCC(C3COC(CCF)OC3)CC2)CC1
InChIInChI=1S/C19H33FO2/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-12-21-19(10-11-20)22-13-18/h14-19H,2-13H2,1H3
InChIKeyMZWNKAQYOZNHKO-UHFFFAOYSA-N
MW312.47 g/mol
LogP4.97
Rot. Bonds4

About 2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane

2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane (PubChem CID 18344137) has the molecular formula C19H33FO2 and a molecular weight of 312.47 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
PubChem CID18344137
Molecular FormulaC19H33FO2
Molecular Weight312.47 g/mol
Exact Mass312.25
IUPAC Name2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
SMILESCC1CCC(C2CCC(C3COC(CCF)OC3)CC2)CC1
InChIInChI=1S/C19H33FO2/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-12-21-19(10-11-20)22-13-18/h14-19H,2-13H2,1H3
InChIKeyMZWNKAQYOZNHKO-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-[(1R)-1-fluoro-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]ethyl]-1,3-dioxane
CID 176437283
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-propylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 18344139
2-(2-Fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane
CID 18344141
2-(2-Fluoroethyl)-5-(4-pentylcyclohexyl)-1,3-dioxane
CID 18344143
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-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane?
The IUPAC name of 2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane (CID 18344137) is 2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane?
The canonical SMILES for 2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane is CC1CCC(C2CCC(C3COC(CCF)OC3)CC2)CC1.
What is the InChIKey of 2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane?
The InChIKey is MZWNKAQYOZNHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FO2/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-12-21-19(10-11-20)22-13-18/h14-19H,2-13H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane?
2-(2-fluoroethyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane has a molecular weight of 312.47 g/mol, XLogP of 4.97, 4 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-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 18344137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).