5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane

C12H19FO2 — CID 22876136

IUPAC5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
SMILESCCC1COC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C12H19FO2/c1-2-9-7-14-12(15-8-9)10-3-5-11(13)6-4-10/h5,9-10,12H,2-4,6-8H2,1H3
InChIKeyBIIAHGGMAPDMON-UHFFFAOYSA-N
MW214.28 g/mol
LogP3.04
Rot. Bonds2

About 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane

5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane (PubChem CID 22876136) has the molecular formula C12H19FO2 and a molecular weight of 214.28 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
PubChem CID22876136
Molecular FormulaC12H19FO2
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
SMILESCCC1COC(C2CC=C(F)CC2)OC1
InChIInChI=1S/C12H19FO2/c1-2-9-7-14-12(15-8-9)10-3-5-11(13)6-4-10/h5,9-10,12H,2-4,6-8H2,1H3
InChIKeyBIIAHGGMAPDMON-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 53.04
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-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The IUPAC name of 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane (CID 22876136) is 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The canonical SMILES for 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane is CCC1COC(C2CC=C(F)CC2)OC1.
What is the InChIKey of 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
The InChIKey is BIIAHGGMAPDMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO2/c1-2-9-7-14-12(15-8-9)10-3-5-11(13)6-4-10/h5,9-10,12H,2-4,6-8H2,1H3.
What are the key properties of 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane?
5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane has a molecular weight of 214.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane is sourced from PubChem (CID 22876136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).