1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone

C6H10FNO3S — CID 130669195

IUPAC1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)N1CC(F)C1
InChIInChI=1S/C6H10FNO3S/c1-12(10,11)4-6(9)8-2-5(7)3-8/h5H,2-4H2,1H3
InChIKeyPOODUQJODWDZPR-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.79
Rot. Bonds2

About 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone

1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone (PubChem CID 130669195) has the molecular formula C6H10FNO3S and a molecular weight of 195.21 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone
PubChem CID130669195
Molecular FormulaC6H10FNO3S
Molecular Weight195.21 g/mol
Exact Mass195.04
IUPAC Name1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)N1CC(F)C1
InChIInChI=1S/C6H10FNO3S/c1-12(10,11)4-6(9)8-2-5(7)3-8/h5H,2-4H2,1H3
InChIKeyPOODUQJODWDZPR-UHFFFAOYSA-N
XLogP-0.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone (CID 130669195) is 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone is CS(=O)(=O)CC(=O)N1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone?
The InChIKey is POODUQJODWDZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3S/c1-12(10,11)4-6(9)8-2-5(7)3-8/h5H,2-4H2,1H3.
What are the key properties of 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone?
1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone has a molecular weight of 195.21 g/mol, XLogP of -0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)-2-methylsulfonylethanone is sourced from PubChem (CID 130669195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).