5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane

C18H25FO2 — CID 15095220

IUPAC5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane
SMILESCCC1COC(C2CCC(c3ccc(F)cc3)CC2)OC1
InChIInChI=1S/C18H25FO2/c1-2-13-11-20-18(21-12-13)16-5-3-14(4-6-16)15-7-9-17(19)10-8-15/h7-10,13-14,16,18H,2-6,11-12H2,1H3
InChIKeyOGNYZNUXQQRPPX-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.50
Rot. Bonds3

About 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane

5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane (PubChem CID 15095220) has the molecular formula C18H25FO2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane
PubChem CID15095220
Molecular FormulaC18H25FO2
Molecular Weight292.39 g/mol
Exact Mass292.18
IUPAC Name5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane
SMILESCCC1COC(C2CCC(c3ccc(F)cc3)CC2)OC1
InChIInChI=1S/C18H25FO2/c1-2-13-11-20-18(21-12-13)16-5-3-14(4-6-16)15-7-9-17(19)10-8-15/h7-10,13-14,16,18H,2-6,11-12H2,1H3
InChIKeyOGNYZNUXQQRPPX-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane?
The IUPAC name of 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane (CID 15095220) is 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane?
The canonical SMILES for 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane is CCC1COC(C2CCC(c3ccc(F)cc3)CC2)OC1.
What is the InChIKey of 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane?
The InChIKey is OGNYZNUXQQRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO2/c1-2-13-11-20-18(21-12-13)16-5-3-14(4-6-16)15-7-9-17(19)10-8-15/h7-10,13-14,16,18H,2-6,11-12H2,1H3.
What are the key properties of 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane?
5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane has a molecular weight of 292.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(4-fluorophenyl)cyclohexyl]-1,3-dioxane is sourced from PubChem (CID 15095220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).