3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane

C11H12BrFO — CID 166687081

IUPAC3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane
SMILESCC(F)C1(c2cccc(Br)c2)COC1
InChIInChI=1S/C11H12BrFO/c1-8(13)11(6-14-7-11)9-3-2-4-10(12)5-9/h2-5,8H,6-7H2,1H3
InChIKeyZUYZFNSJOUZBRS-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.08
Rot. Bonds2

About 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane

3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane (PubChem CID 166687081) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane
PubChem CID166687081
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane
SMILESCC(F)C1(c2cccc(Br)c2)COC1
InChIInChI=1S/C11H12BrFO/c1-8(13)11(6-14-7-11)9-3-2-4-10(12)5-9/h2-5,8H,6-7H2,1H3
InChIKeyZUYZFNSJOUZBRS-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane?
The IUPAC name of 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane (CID 166687081) is 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane.
What is the SMILES notation for 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane?
The canonical SMILES for 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane is CC(F)C1(c2cccc(Br)c2)COC1.
What is the InChIKey of 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane?
The InChIKey is ZUYZFNSJOUZBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-8(13)11(6-14-7-11)9-3-2-4-10(12)5-9/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane?
3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane has a molecular weight of 259.12 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-(1-fluoroethyl)oxetane is sourced from PubChem (CID 166687081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).