2-(3-fluorophenyl)-5-propyl-1,3-dioxane

C13H17FO2 — CID 54244668

IUPAC2-(3-fluorophenyl)-5-propyl-1,3-dioxane
SMILESCCCC1COC(c2cccc(F)c2)OC1
InChIInChI=1S/C13H17FO2/c1-2-4-10-8-15-13(16-9-10)11-5-3-6-12(14)7-11/h3,5-7,10,13H,2,4,8-9H2,1H3
InChIKeyQSKDUBOGIWNXCF-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.29
Rot. Bonds3

About 2-(3-fluorophenyl)-5-propyl-1,3-dioxane

2-(3-fluorophenyl)-5-propyl-1,3-dioxane (PubChem CID 54244668) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-propyl-1,3-dioxane
PubChem CID54244668
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name2-(3-fluorophenyl)-5-propyl-1,3-dioxane
SMILESCCCC1COC(c2cccc(F)c2)OC1
InChIInChI=1S/C13H17FO2/c1-2-4-10-8-15-13(16-9-10)11-5-3-6-12(14)7-11/h3,5-7,10,13H,2,4,8-9H2,1H3
InChIKeyQSKDUBOGIWNXCF-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-propyl-1,3-dioxane?
The IUPAC name of 2-(3-fluorophenyl)-5-propyl-1,3-dioxane (CID 54244668) is 2-(3-fluorophenyl)-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-(3-fluorophenyl)-5-propyl-1,3-dioxane?
The canonical SMILES for 2-(3-fluorophenyl)-5-propyl-1,3-dioxane is CCCC1COC(c2cccc(F)c2)OC1.
What is the InChIKey of 2-(3-fluorophenyl)-5-propyl-1,3-dioxane?
The InChIKey is QSKDUBOGIWNXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-2-4-10-8-15-13(16-9-10)11-5-3-6-12(14)7-11/h3,5-7,10,13H,2,4,8-9H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-propyl-1,3-dioxane?
2-(3-fluorophenyl)-5-propyl-1,3-dioxane has a molecular weight of 224.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-propyl-1,3-dioxane is sourced from PubChem (CID 54244668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).