3-(4-bromophenyl)-3-fluorooxetane

C9H8BrFO — CID 59525623

IUPAC3-(4-bromophenyl)-3-fluorooxetane
SMILESFC1(c2ccc(Br)cc2)COC1
InChIInChI=1S/C9H8BrFO/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4H,5-6H2
InChIKeySQVOYDWWROMJHE-UHFFFAOYSA-N
MW231.06 g/mol
LogP2.64
Rot. Bonds1

About 3-(4-bromophenyl)-3-fluorooxetane

3-(4-bromophenyl)-3-fluorooxetane (PubChem CID 59525623) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-fluorooxetane.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-fluorooxetane
PubChem CID59525623
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name3-(4-bromophenyl)-3-fluorooxetane
SMILESFC1(c2ccc(Br)cc2)COC1
InChIInChI=1S/C9H8BrFO/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4H,5-6H2
InChIKeySQVOYDWWROMJHE-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-fluorooxetane?
The IUPAC name of 3-(4-bromophenyl)-3-fluorooxetane (CID 59525623) is 3-(4-bromophenyl)-3-fluorooxetane.
What is the SMILES notation for 3-(4-bromophenyl)-3-fluorooxetane?
The canonical SMILES for 3-(4-bromophenyl)-3-fluorooxetane is FC1(c2ccc(Br)cc2)COC1.
What is the InChIKey of 3-(4-bromophenyl)-3-fluorooxetane?
The InChIKey is SQVOYDWWROMJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4H,5-6H2.
What are the key properties of 3-(4-bromophenyl)-3-fluorooxetane?
3-(4-bromophenyl)-3-fluorooxetane has a molecular weight of 231.06 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-fluorooxetane is sourced from PubChem (CID 59525623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).