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

C14H23FO2 — CID 22876094

IUPAC5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
SMILESCCC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C14H23FO2/c1-2-11-9-16-14(17-10-11)8-5-12-3-6-13(15)7-4-12/h6,11-12,14H,2-5,7-10H2,1H3
InChIKeyKYITWNONUSZHIB-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.82
Rot. Bonds4

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

5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane (PubChem CID 22876094) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
PubChem CID22876094
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane
SMILESCCC1COC(CCC2CC=C(F)CC2)OC1
InChIInChI=1S/C14H23FO2/c1-2-11-9-16-14(17-10-11)8-5-12-3-6-13(15)7-4-12/h6,11-12,14H,2-5,7-10H2,1H3
InChIKeyKYITWNONUSZHIB-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane?
The IUPAC name of 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane (CID 22876094) is 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane is CCC1COC(CCC2CC=C(F)CC2)OC1.
What is the InChIKey of 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane?
The InChIKey is KYITWNONUSZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO2/c1-2-11-9-16-14(17-10-11)8-5-12-3-6-13(15)7-4-12/h6,11-12,14H,2-5,7-10H2,1H3.
What are the key properties of 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane?
5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane has a molecular weight of 242.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 22876094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).