1-bromo-4-fluorobenzene;1,4-dioxane

C10H12BrFO2 — CID 170328138

IUPAC1-bromo-4-fluorobenzene;1,4-dioxane
SMILESC1COCCO1.Fc1ccc(Br)cc1
InChIInChI=1S/C6H4BrF.C4H8O2/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5-1/h1-4H;1-4H2
InChIKeyZETPVTUECSSODK-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.62
Rot. Bonds

About 1-bromo-4-fluorobenzene;1,4-dioxane

1-bromo-4-fluorobenzene;1,4-dioxane (PubChem CID 170328138) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-bromo-4-fluorobenzene;1,4-dioxane.

Molecular Properties

Compound Name1-bromo-4-fluorobenzene;1,4-dioxane
PubChem CID170328138
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-bromo-4-fluorobenzene;1,4-dioxane
SMILESC1COCCO1.Fc1ccc(Br)cc1
InChIInChI=1S/C6H4BrF.C4H8O2/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5-1/h1-4H;1-4H2
InChIKeyZETPVTUECSSODK-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluorobenzene;1,4-dioxane?
The IUPAC name of 1-bromo-4-fluorobenzene;1,4-dioxane (CID 170328138) is 1-bromo-4-fluorobenzene;1,4-dioxane.
What is the SMILES notation for 1-bromo-4-fluorobenzene;1,4-dioxane?
The canonical SMILES for 1-bromo-4-fluorobenzene;1,4-dioxane is C1COCCO1.Fc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-fluorobenzene;1,4-dioxane?
The InChIKey is ZETPVTUECSSODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF.C4H8O2/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5-1/h1-4H;1-4H2.
What are the key properties of 1-bromo-4-fluorobenzene;1,4-dioxane?
1-bromo-4-fluorobenzene;1,4-dioxane has a molecular weight of 263.11 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluorobenzene;1,4-dioxane is sourced from PubChem (CID 170328138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).