2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane

C6H8ClFO2 — CID 23261801

IUPAC2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane
SMILESF/C(=C/Cl)C1COCCO1
InChIInChI=1S/C6H8ClFO2/c7-3-5(8)6-4-9-1-2-10-6/h3,6H,1-2,4H2/b5-3+
InChIKeyOWMPBYFHMNVFQX-HWKANZROSA-N
MW166.58 g/mol
LogP1.45
Rot. Bonds1

About 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane

2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane (PubChem CID 23261801) has the molecular formula C6H8ClFO2 and a molecular weight of 166.58 g/mol. Its IUPAC name is 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane
PubChem CID23261801
Molecular FormulaC6H8ClFO2
Molecular Weight166.58 g/mol
Exact Mass166.02
IUPAC Name2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane
SMILESF/C(=C/Cl)C1COCCO1
InChIInChI=1S/C6H8ClFO2/c7-3-5(8)6-4-9-1-2-10-6/h3,6H,1-2,4H2/b5-3+
InChIKeyOWMPBYFHMNVFQX-HWKANZROSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.58
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane?
The IUPAC name of 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane (CID 23261801) is 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane.
What is the SMILES notation for 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane?
The canonical SMILES for 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane is F/C(=C/Cl)C1COCCO1.
What is the InChIKey of 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane?
The InChIKey is OWMPBYFHMNVFQX-HWKANZROSA-N. The full InChI is InChI=1S/C6H8ClFO2/c7-3-5(8)6-4-9-1-2-10-6/h3,6H,1-2,4H2/b5-3+.
What are the key properties of 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane?
2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane has a molecular weight of 166.58 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-chloro-1-fluoroethenyl]-1,4-dioxane is sourced from PubChem (CID 23261801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).