3-(2-fluoroethylsulfonylmethyl)azetidine

C6H12FNO2S — CID 81197943

IUPAC3-(2-fluoroethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CCF)CC1CNC1
InChIInChI=1S/C6H12FNO2S/c7-1-2-11(9,10)5-6-3-8-4-6/h6,8H,1-5H2
InChIKeyWREIUMGEUHUJGA-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.41
Rot. Bonds4

About 3-(2-fluoroethylsulfonylmethyl)azetidine

3-(2-fluoroethylsulfonylmethyl)azetidine (PubChem CID 81197943) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfonylmethyl)azetidine
PubChem CID81197943
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-(2-fluoroethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CCF)CC1CNC1
InChIInChI=1S/C6H12FNO2S/c7-1-2-11(9,10)5-6-3-8-4-6/h6,8H,1-5H2
InChIKeyWREIUMGEUHUJGA-UHFFFAOYSA-N
XLogP-0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylsulfonylmethyl)azetidine?
The IUPAC name of 3-(2-fluoroethylsulfonylmethyl)azetidine (CID 81197943) is 3-(2-fluoroethylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(2-fluoroethylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(2-fluoroethylsulfonylmethyl)azetidine is O=S(=O)(CCF)CC1CNC1.
What is the InChIKey of 3-(2-fluoroethylsulfonylmethyl)azetidine?
The InChIKey is WREIUMGEUHUJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-1-2-11(9,10)5-6-3-8-4-6/h6,8H,1-5H2.
What are the key properties of 3-(2-fluoroethylsulfonylmethyl)azetidine?
3-(2-fluoroethylsulfonylmethyl)azetidine has a molecular weight of 181.23 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfonylmethyl)azetidine is sourced from PubChem (CID 81197943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).