2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane

C12H14BrFO3 — CID 91636277

IUPAC2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane
SMILESFc1ccc(Br)cc1OCCC1OCCCO1
InChIInChI=1S/C12H14BrFO3/c13-9-2-3-10(14)11(8-9)15-7-4-12-16-5-1-6-17-12/h2-3,8,12H,1,4-7H2
InChIKeyUBRPTFOYBBOBGV-UHFFFAOYSA-N
MW305.14 g/mol
LogP3.12
Rot. Bonds4

About 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane

2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane (PubChem CID 91636277) has the molecular formula C12H14BrFO3 and a molecular weight of 305.14 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane
PubChem CID91636277
Molecular FormulaC12H14BrFO3
Molecular Weight305.14 g/mol
Exact Mass304.01
IUPAC Name2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane
SMILESFc1ccc(Br)cc1OCCC1OCCCO1
InChIInChI=1S/C12H14BrFO3/c13-9-2-3-10(14)11(8-9)15-7-4-12-16-5-1-6-17-12/h2-3,8,12H,1,4-7H2
InChIKeyUBRPTFOYBBOBGV-UHFFFAOYSA-N
XLogP3.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1,3-dioxane
CID 115402495
2-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-dioxane
CID 66474760
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
CID 66475164
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 114677037
4-bromo-2-but-3-ynoxy-1-fluorobenzene
CID 115918428
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544
4-bromo-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159009
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148
2-[2-(4-bromo-3-methylphenoxy)ethyl]-1,3-dioxane
CID 79015613
2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078
4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene
CID 114672157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane (CID 91636277) is 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane is Fc1ccc(Br)cc1OCCC1OCCCO1.
What is the InChIKey of 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane?
The InChIKey is UBRPTFOYBBOBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO3/c13-9-2-3-10(14)11(8-9)15-7-4-12-16-5-1-6-17-12/h2-3,8,12H,1,4-7H2.
What are the key properties of 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane?
2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane has a molecular weight of 305.14 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 91636277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).