3-(4-bromo-3-fluorophenyl)oxetane

C9H8BrFO — CID 130909412

IUPAC3-(4-bromo-3-fluorophenyl)oxetane
SMILESFc1cc(C2COC2)ccc1Br
InChIInChI=1S/C9H8BrFO/c10-8-2-1-6(3-9(8)11)7-4-12-5-7/h1-3,7H,4-5H2
InChIKeyGXHSRHBFRAHXIG-UHFFFAOYSA-N
MW231.06 g/mol
LogP2.70
Rot. Bonds1

About 3-(4-bromo-3-fluorophenyl)oxetane

3-(4-bromo-3-fluorophenyl)oxetane (PubChem CID 130909412) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)oxetane.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)oxetane
PubChem CID130909412
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name3-(4-bromo-3-fluorophenyl)oxetane
SMILESFc1cc(C2COC2)ccc1Br
InChIInChI=1S/C9H8BrFO/c10-8-2-1-6(3-9(8)11)7-4-12-5-7/h1-3,7H,4-5H2
InChIKeyGXHSRHBFRAHXIG-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)oxetane?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)oxetane (CID 130909412) is 3-(4-bromo-3-fluorophenyl)oxetane.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)oxetane?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)oxetane is Fc1cc(C2COC2)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)oxetane?
The InChIKey is GXHSRHBFRAHXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-8-2-1-6(3-9(8)11)7-4-12-5-7/h1-3,7H,4-5H2.
What are the key properties of 3-(4-bromo-3-fluorophenyl)oxetane?
3-(4-bromo-3-fluorophenyl)oxetane has a molecular weight of 231.06 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)oxetane is sourced from PubChem (CID 130909412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).