3-(4-bromo-2-fluorophenoxy)oxetane

C9H8BrFO2 — CID 70974685

IUPAC3-(4-bromo-2-fluorophenoxy)oxetane
SMILESFc1cc(Br)ccc1OC1COC1
InChIInChI=1S/C9H8BrFO2/c10-6-1-2-9(8(11)3-6)13-7-4-12-5-7/h1-3,7H,4-5H2
InChIKeyFWXLBIVKFVUMKW-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.37
Rot. Bonds2

About 3-(4-bromo-2-fluorophenoxy)oxetane

3-(4-bromo-2-fluorophenoxy)oxetane (PubChem CID 70974685) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenoxy)oxetane.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenoxy)oxetane
PubChem CID70974685
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name3-(4-bromo-2-fluorophenoxy)oxetane
SMILESFc1cc(Br)ccc1OC1COC1
InChIInChI=1S/C9H8BrFO2/c10-6-1-2-9(8(11)3-6)13-7-4-12-5-7/h1-3,7H,4-5H2
InChIKeyFWXLBIVKFVUMKW-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenoxy)oxetane?
The IUPAC name of 3-(4-bromo-2-fluorophenoxy)oxetane (CID 70974685) is 3-(4-bromo-2-fluorophenoxy)oxetane.
What is the SMILES notation for 3-(4-bromo-2-fluorophenoxy)oxetane?
The canonical SMILES for 3-(4-bromo-2-fluorophenoxy)oxetane is Fc1cc(Br)ccc1OC1COC1.
What is the InChIKey of 3-(4-bromo-2-fluorophenoxy)oxetane?
The InChIKey is FWXLBIVKFVUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c10-6-1-2-9(8(11)3-6)13-7-4-12-5-7/h1-3,7H,4-5H2.
What are the key properties of 3-(4-bromo-2-fluorophenoxy)oxetane?
3-(4-bromo-2-fluorophenoxy)oxetane has a molecular weight of 247.06 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenoxy)oxetane is sourced from PubChem (CID 70974685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).