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

C13H23FO2 — CID 18344141

IUPAC2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane
SMILESCC1CCC(C2COC(CCF)OC2)CC1
InChIInChI=1S/C13H23FO2/c1-10-2-4-11(5-3-10)12-8-15-13(6-7-14)16-9-12/h10-13H,2-9H2,1H3
InChIKeyGFEVQZOJOVZFJJ-UHFFFAOYSA-N
MW230.32 g/mol
LogP3.16
Rot. Bonds3

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

2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane (PubChem CID 18344141) has the molecular formula C13H23FO2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane
PubChem CID18344141
Molecular FormulaC13H23FO2
Molecular Weight230.32 g/mol
Exact Mass230.17
IUPAC Name2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane
SMILESCC1CCC(C2COC(CCF)OC2)CC1
InChIInChI=1S/C13H23FO2/c1-10-2-4-11(5-3-10)12-8-15-13(6-7-14)16-9-12/h10-13H,2-9H2,1H3
InChIKeyGFEVQZOJOVZFJJ-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane?
The IUPAC name of 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane (CID 18344141) is 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane is CC1CCC(C2COC(CCF)OC2)CC1.
What is the InChIKey of 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane?
The InChIKey is GFEVQZOJOVZFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2/c1-10-2-4-11(5-3-10)12-8-15-13(6-7-14)16-9-12/h10-13H,2-9H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane?
2-(2-fluoroethyl)-5-(4-methylcyclohexyl)-1,3-dioxane has a molecular weight of 230.32 g/mol, XLogP of 3.16, 3 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-methylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 18344141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).