3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane

C11H12BrFO2 — CID 102607679

IUPAC3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane
SMILESFc1ccc(C(CBr)OC2COC2)cc1
InChIInChI=1S/C11H12BrFO2/c12-5-11(15-10-6-14-7-10)8-1-3-9(13)4-2-8/h1-4,10-11H,5-7H2
InChIKeyNQOJWNAKRHJSSX-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.68
Rot. Bonds4

About 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane

3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane (PubChem CID 102607679) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane.

Molecular Properties

Compound Name3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane
PubChem CID102607679
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane
SMILESFc1ccc(C(CBr)OC2COC2)cc1
InChIInChI=1S/C11H12BrFO2/c12-5-11(15-10-6-14-7-10)8-1-3-9(13)4-2-8/h1-4,10-11H,5-7H2
InChIKeyNQOJWNAKRHJSSX-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane?
The IUPAC name of 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane (CID 102607679) is 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane.
What is the SMILES notation for 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane?
The canonical SMILES for 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane is Fc1ccc(C(CBr)OC2COC2)cc1.
What is the InChIKey of 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane?
The InChIKey is NQOJWNAKRHJSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c12-5-11(15-10-6-14-7-10)8-1-3-9(13)4-2-8/h1-4,10-11H,5-7H2.
What are the key properties of 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane?
3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane has a molecular weight of 275.12 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-1-(4-fluorophenyl)ethoxy]oxetane is sourced from PubChem (CID 102607679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).