5-(azetidin-3-yloxy)-2-fluorophenol

C9H10FNO2 — CID 138753068

IUPAC5-(azetidin-3-yloxy)-2-fluorophenol
SMILESOc1cc(OC2CNC2)ccc1F
InChIInChI=1S/C9H10FNO2/c10-8-2-1-6(3-9(8)12)13-7-4-11-5-7/h1-3,7,11-12H,4-5H2
InChIKeyXHZCTSKZHZCZRA-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.88
Rot. Bonds2

About 5-(azetidin-3-yloxy)-2-fluorophenol

5-(azetidin-3-yloxy)-2-fluorophenol (PubChem CID 138753068) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-2-fluorophenol.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-2-fluorophenol
PubChem CID138753068
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name5-(azetidin-3-yloxy)-2-fluorophenol
SMILESOc1cc(OC2CNC2)ccc1F
InChIInChI=1S/C9H10FNO2/c10-8-2-1-6(3-9(8)12)13-7-4-11-5-7/h1-3,7,11-12H,4-5H2
InChIKeyXHZCTSKZHZCZRA-UHFFFAOYSA-N
XLogP0.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-2-fluorophenol?
The IUPAC name of 5-(azetidin-3-yloxy)-2-fluorophenol (CID 138753068) is 5-(azetidin-3-yloxy)-2-fluorophenol.
What is the SMILES notation for 5-(azetidin-3-yloxy)-2-fluorophenol?
The canonical SMILES for 5-(azetidin-3-yloxy)-2-fluorophenol is Oc1cc(OC2CNC2)ccc1F.
What is the InChIKey of 5-(azetidin-3-yloxy)-2-fluorophenol?
The InChIKey is XHZCTSKZHZCZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-8-2-1-6(3-9(8)12)13-7-4-11-5-7/h1-3,7,11-12H,4-5H2.
What are the key properties of 5-(azetidin-3-yloxy)-2-fluorophenol?
5-(azetidin-3-yloxy)-2-fluorophenol has a molecular weight of 183.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-2-fluorophenol is sourced from PubChem (CID 138753068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).