2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane

C14H17Cl2FO2 — CID 86199841

IUPAC2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane
SMILESFCCC1COC(CCc2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C14H17Cl2FO2/c15-12-3-1-10(7-13(12)16)2-4-14-18-8-11(5-6-17)9-19-14/h1,3,7,11,14H,2,4-6,8-9H2
InChIKeyJDTAMEILBJAKTG-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.27
Rot. Bonds5

About 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane

2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane (PubChem CID 86199841) has the molecular formula C14H17Cl2FO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane
PubChem CID86199841
Molecular FormulaC14H17Cl2FO2
Molecular Weight307.19 g/mol
Exact Mass306.06
IUPAC Name2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane
SMILESFCCC1COC(CCc2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C14H17Cl2FO2/c15-12-3-1-10(7-13(12)16)2-4-14-18-8-11(5-6-17)9-19-14/h1,3,7,11,14H,2,4-6,8-9H2
InChIKeyJDTAMEILBJAKTG-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane?
The IUPAC name of 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane (CID 86199841) is 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane.
What is the SMILES notation for 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane?
The canonical SMILES for 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane is FCCC1COC(CCc2ccc(Cl)c(Cl)c2)OC1.
What is the InChIKey of 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane?
The InChIKey is JDTAMEILBJAKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2FO2/c15-12-3-1-10(7-13(12)16)2-4-14-18-8-11(5-6-17)9-19-14/h1,3,7,11,14H,2,4-6,8-9H2.
What are the key properties of 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane?
2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane has a molecular weight of 307.19 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenyl)ethyl]-5-(2-fluoroethyl)-1,3-dioxane is sourced from PubChem (CID 86199841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).