1-benzyl-3-ethyl-4-fluoroazetidin-2-one

C12H14FNO — CID 10058857

IUPAC1-benzyl-3-ethyl-4-fluoroazetidin-2-one
SMILESCCC1C(=O)N(Cc2ccccc2)C1F
InChIInChI=1S/C12H14FNO/c1-2-10-11(13)14(12(10)15)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyFFWLWTGSNIZXOQ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.35
Rot. Bonds3

About 1-benzyl-3-ethyl-4-fluoroazetidin-2-one

1-benzyl-3-ethyl-4-fluoroazetidin-2-one (PubChem CID 10058857) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-4-fluoroazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-ethyl-4-fluoroazetidin-2-one
PubChem CID10058857
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-benzyl-3-ethyl-4-fluoroazetidin-2-one
SMILESCCC1C(=O)N(Cc2ccccc2)C1F
InChIInChI=1S/C12H14FNO/c1-2-10-11(13)14(12(10)15)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyFFWLWTGSNIZXOQ-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.35
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-3-ethyl-4-fluoroazetidin-2-one?
The IUPAC name of 1-benzyl-3-ethyl-4-fluoroazetidin-2-one (CID 10058857) is 1-benzyl-3-ethyl-4-fluoroazetidin-2-one.
What is the SMILES notation for 1-benzyl-3-ethyl-4-fluoroazetidin-2-one?
The canonical SMILES for 1-benzyl-3-ethyl-4-fluoroazetidin-2-one is CCC1C(=O)N(Cc2ccccc2)C1F.
What is the InChIKey of 1-benzyl-3-ethyl-4-fluoroazetidin-2-one?
The InChIKey is FFWLWTGSNIZXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-10-11(13)14(12(10)15)8-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3.
What are the key properties of 1-benzyl-3-ethyl-4-fluoroazetidin-2-one?
1-benzyl-3-ethyl-4-fluoroazetidin-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-4-fluoroazetidin-2-one is sourced from PubChem (CID 10058857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).