3-(3-bromo-2-fluorophenyl)azetidin-3-ol

C9H9BrFNO — CID 106644465

IUPAC3-(3-bromo-2-fluorophenyl)azetidin-3-ol
SMILESOC1(c2cccc(Br)c2F)CNC1
InChIInChI=1S/C9H9BrFNO/c10-7-3-1-2-6(8(7)11)9(13)4-12-5-9/h1-3,12-13H,4-5H2
InChIKeyBPJIKRARYVOZBB-UHFFFAOYSA-N
MW246.08 g/mol
LogP1.38
Rot. Bonds1

About 3-(3-bromo-2-fluorophenyl)azetidin-3-ol

3-(3-bromo-2-fluorophenyl)azetidin-3-ol (PubChem CID 106644465) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)azetidin-3-ol.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)azetidin-3-ol
PubChem CID106644465
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name3-(3-bromo-2-fluorophenyl)azetidin-3-ol
SMILESOC1(c2cccc(Br)c2F)CNC1
InChIInChI=1S/C9H9BrFNO/c10-7-3-1-2-6(8(7)11)9(13)4-12-5-9/h1-3,12-13H,4-5H2
InChIKeyBPJIKRARYVOZBB-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)azetidin-3-ol?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)azetidin-3-ol (CID 106644465) is 3-(3-bromo-2-fluorophenyl)azetidin-3-ol.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)azetidin-3-ol?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)azetidin-3-ol is OC1(c2cccc(Br)c2F)CNC1.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)azetidin-3-ol?
The InChIKey is BPJIKRARYVOZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c10-7-3-1-2-6(8(7)11)9(13)4-12-5-9/h1-3,12-13H,4-5H2.
What are the key properties of 3-(3-bromo-2-fluorophenyl)azetidin-3-ol?
3-(3-bromo-2-fluorophenyl)azetidin-3-ol has a molecular weight of 246.08 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)azetidin-3-ol is sourced from PubChem (CID 106644465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).