2-(azetidin-2-yl)-6-bromo-4-fluorophenol

C9H9BrFNO — CID 131124098

IUPAC2-(azetidin-2-yl)-6-bromo-4-fluorophenol
SMILESOc1c(Br)cc(F)cc1C1CCN1
InChIInChI=1S/C9H9BrFNO/c10-7-4-5(11)3-6(9(7)13)8-1-2-12-8/h3-4,8,12-13H,1-2H2
InChIKeyYOQOIFJOHYVGIJ-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.33
Rot. Bonds1

About 2-(azetidin-2-yl)-6-bromo-4-fluorophenol

2-(azetidin-2-yl)-6-bromo-4-fluorophenol (PubChem CID 131124098) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is 2-(azetidin-2-yl)-6-bromo-4-fluorophenol.

Molecular Properties

Compound Name2-(azetidin-2-yl)-6-bromo-4-fluorophenol
PubChem CID131124098
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC Name2-(azetidin-2-yl)-6-bromo-4-fluorophenol
SMILESOc1c(Br)cc(F)cc1C1CCN1
InChIInChI=1S/C9H9BrFNO/c10-7-4-5(11)3-6(9(7)13)8-1-2-12-8/h3-4,8,12-13H,1-2H2
InChIKeyYOQOIFJOHYVGIJ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-azetidin-2-yl]-6-bromo-4-fluorophenol
CID 130983518
2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 130872116
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
2-bromo-4-fluoro-6-piperidin-4-ylphenol
CID 84713813
2-[(2R)-azetidin-2-yl]-6-bromo-4-ethylphenol
CID 130706474
(2S)-2-(2-bromo-5-fluorophenyl)azetidine
CID 130681917
(2S)-2-(2-bromo-4-fluorophenyl)azetidine
CID 131131441
(2R)-2-(2-bromo-4-fluorophenyl)azetidine;hydrochloride
CID 171197171
2-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 55277686
2-[(2R)-azetidin-2-yl]-4-bromo-6-chlorophenol
CID 130673866
2-[(2R)-azetidin-2-yl]-4-bromo-6-(trifluoromethyl)phenol
CID 131498458
6-bromo-2,3-difluoro-4-pyrrolidin-2-ylphenol
CID 117445443

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)-6-bromo-4-fluorophenol?
The IUPAC name of 2-(azetidin-2-yl)-6-bromo-4-fluorophenol (CID 131124098) is 2-(azetidin-2-yl)-6-bromo-4-fluorophenol.
What is the SMILES notation for 2-(azetidin-2-yl)-6-bromo-4-fluorophenol?
The canonical SMILES for 2-(azetidin-2-yl)-6-bromo-4-fluorophenol is Oc1c(Br)cc(F)cc1C1CCN1.
What is the InChIKey of 2-(azetidin-2-yl)-6-bromo-4-fluorophenol?
The InChIKey is YOQOIFJOHYVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c10-7-4-5(11)3-6(9(7)13)8-1-2-12-8/h3-4,8,12-13H,1-2H2.
What are the key properties of 2-(azetidin-2-yl)-6-bromo-4-fluorophenol?
2-(azetidin-2-yl)-6-bromo-4-fluorophenol has a molecular weight of 246.08 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-yl)-6-bromo-4-fluorophenol is sourced from PubChem (CID 131124098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).