3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one

C12H14FNO2S — CID 55179362

IUPAC3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one
SMILESO=C(CCSc1ccccc1F)N1CC(O)C1
InChIInChI=1S/C12H14FNO2S/c13-10-3-1-2-4-11(10)17-6-5-12(16)14-7-9(15)8-14/h1-4,9,15H,5-8H2
InChIKeyBJICIEGUXGMFHN-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.51
Rot. Bonds4

About 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one

3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one (PubChem CID 55179362) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one
PubChem CID55179362
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one
SMILESO=C(CCSc1ccccc1F)N1CC(O)C1
InChIInChI=1S/C12H14FNO2S/c13-10-3-1-2-4-11(10)17-6-5-12(16)14-7-9(15)8-14/h1-4,9,15H,5-8H2
InChIKeyBJICIEGUXGMFHN-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one (CID 55179362) is 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one is O=C(CCSc1ccccc1F)N1CC(O)C1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one?
The InChIKey is BJICIEGUXGMFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-10-3-1-2-4-11(10)17-6-5-12(16)14-7-9(15)8-14/h1-4,9,15H,5-8H2.
What are the key properties of 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one?
3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one has a molecular weight of 255.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-1-(3-hydroxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 55179362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).