5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane

C14H23FO2 — CID 130258053

IUPAC5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane
SMILESCC1CCC(CCC2COC(C)OC2)=C(F)C1
InChIInChI=1S/C14H23FO2/c1-10-3-5-13(14(15)7-10)6-4-12-8-16-11(2)17-9-12/h10-12H,3-9H2,1-2H3
InChIKeyKXNGSJIMFMDLLY-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.82
Rot. Bonds3

About 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane

5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane (PubChem CID 130258053) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane.

Molecular Properties

Compound Name5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane
PubChem CID130258053
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane
SMILESCC1CCC(CCC2COC(C)OC2)=C(F)C1
InChIInChI=1S/C14H23FO2/c1-10-3-5-13(14(15)7-10)6-4-12-8-16-11(2)17-9-12/h10-12H,3-9H2,1-2H3
InChIKeyKXNGSJIMFMDLLY-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane?
The IUPAC name of 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane (CID 130258053) is 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane.
What is the SMILES notation for 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane?
The canonical SMILES for 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane is CC1CCC(CCC2COC(C)OC2)=C(F)C1.
What is the InChIKey of 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane?
The InChIKey is KXNGSJIMFMDLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO2/c1-10-3-5-13(14(15)7-10)6-4-12-8-16-11(2)17-9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane?
5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane has a molecular weight of 242.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-4-methylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxane is sourced from PubChem (CID 130258053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).