1-benzyl-4-fluoroazetidin-2-one

C10H10FNO — CID 10375006

IUPAC1-benzyl-4-fluoroazetidin-2-one
SMILESO=C1CC(F)N1Cc1ccccc1
InChIInChI=1S/C10H10FNO/c11-9-6-10(13)12(9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyQATFLABZTKNCCU-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.71
Rot. Bonds2

About 1-benzyl-4-fluoroazetidin-2-one

1-benzyl-4-fluoroazetidin-2-one (PubChem CID 10375006) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-benzyl-4-fluoroazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-fluoroazetidin-2-one
PubChem CID10375006
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name1-benzyl-4-fluoroazetidin-2-one
SMILESO=C1CC(F)N1Cc1ccccc1
InChIInChI=1S/C10H10FNO/c11-9-6-10(13)12(9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyQATFLABZTKNCCU-UHFFFAOYSA-N
XLogP1.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-fluoroazetidin-2-one?
The IUPAC name of 1-benzyl-4-fluoroazetidin-2-one (CID 10375006) is 1-benzyl-4-fluoroazetidin-2-one.
What is the SMILES notation for 1-benzyl-4-fluoroazetidin-2-one?
The canonical SMILES for 1-benzyl-4-fluoroazetidin-2-one is O=C1CC(F)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-fluoroazetidin-2-one?
The InChIKey is QATFLABZTKNCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-6-10(13)12(9)7-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 1-benzyl-4-fluoroazetidin-2-one?
1-benzyl-4-fluoroazetidin-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-fluoroazetidin-2-one is sourced from PubChem (CID 10375006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).