2-[(2S)-azetidin-2-yl]-4-fluorophenol

C9H10FNO — CID 55277686

IUPAC2-[(2S)-azetidin-2-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1[C@@H]1CCN1
InChIInChI=1S/C9H10FNO/c10-6-1-2-9(12)7(5-6)8-3-4-11-8/h1-2,5,8,11-12H,3-4H2/t8-/m0/s1
InChIKeyMRWOPKDUECUHIY-QMMMGPOBSA-N
MW167.18 g/mol
LogP1.57
Rot. Bonds1

About 2-[(2S)-azetidin-2-yl]-4-fluorophenol

2-[(2S)-azetidin-2-yl]-4-fluorophenol (PubChem CID 55277686) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-4-fluorophenol
PubChem CID55277686
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-[(2S)-azetidin-2-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1[C@@H]1CCN1
InChIInChI=1S/C9H10FNO/c10-6-1-2-9(12)7(5-6)8-3-4-11-8/h1-2,5,8,11-12H,3-4H2/t8-/m0/s1
InChIKeyMRWOPKDUECUHIY-QMMMGPOBSA-N
XLogP1.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-4-fluorophenol?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-4-fluorophenol (CID 55277686) is 2-[(2S)-azetidin-2-yl]-4-fluorophenol.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-4-fluorophenol?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-4-fluorophenol is Oc1ccc(F)cc1[C@@H]1CCN1.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-4-fluorophenol?
The InChIKey is MRWOPKDUECUHIY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10FNO/c10-6-1-2-9(12)7(5-6)8-3-4-11-8/h1-2,5,8,11-12H,3-4H2/t8-/m0/s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-4-fluorophenol?
2-[(2S)-azetidin-2-yl]-4-fluorophenol has a molecular weight of 167.18 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-4-fluorophenol is sourced from PubChem (CID 55277686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).