2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane

C13H23FO2 — CID 18344180

IUPAC2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(CCF)CC2)OC1
InChIInChI=1S/C13H23FO2/c1-10-8-15-13(16-9-10)12-4-2-11(3-5-12)6-7-14/h10-13H,2-9H2,1H3
InChIKeyMYEZZWDVPSKCOH-UHFFFAOYSA-N
MW230.32 g/mol
LogP3.16
Rot. Bonds3

About 2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane

2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane (PubChem CID 18344180) has the molecular formula C13H23FO2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane
PubChem CID18344180
Molecular FormulaC13H23FO2
Molecular Weight230.32 g/mol
Exact Mass230.17
IUPAC Name2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane
SMILESCC1COC(C2CCC(CCF)CC2)OC1
InChIInChI=1S/C13H23FO2/c1-10-8-15-13(16-9-10)12-4-2-11(3-5-12)6-7-14/h10-13H,2-9H2,1H3
InChIKeyMYEZZWDVPSKCOH-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-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane?
The IUPAC name of 2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane (CID 18344180) is 2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane?
The canonical SMILES for 2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane is CC1COC(C2CCC(CCF)CC2)OC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane?
The InChIKey is MYEZZWDVPSKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO2/c1-10-8-15-13(16-9-10)12-4-2-11(3-5-12)6-7-14/h10-13H,2-9H2,1H3.
What are the key properties of 2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane?
2-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-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-[4-(2-fluoroethyl)cyclohexyl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 18344180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).