3-fluoro-1-(2-methylsulfonylethyl)azetidine

C6H12FNO2S — CID 123907074

IUPAC3-fluoro-1-(2-methylsulfonylethyl)azetidine
SMILESCS(=O)(=O)CCN1CC(F)C1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)3-2-8-4-6(7)5-8/h6H,2-5H2,1H3
InChIKeyLSMSIZFVTYVKHY-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.32
Rot. Bonds3

About 3-fluoro-1-(2-methylsulfonylethyl)azetidine

3-fluoro-1-(2-methylsulfonylethyl)azetidine (PubChem CID 123907074) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylsulfonylethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(2-methylsulfonylethyl)azetidine
PubChem CID123907074
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-fluoro-1-(2-methylsulfonylethyl)azetidine
SMILESCS(=O)(=O)CCN1CC(F)C1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)3-2-8-4-6(7)5-8/h6H,2-5H2,1H3
InChIKeyLSMSIZFVTYVKHY-UHFFFAOYSA-N
XLogP-0.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-3-Azetidinesulfonamide
CID 137379999
2-(3-Fluoroazetidin-1-yl)ethanesulfonamide
CID 137516097
3-(Fluoromethyl)-1-methyl-3-methylsulfonylazetidine
CID 155466453
3-Fluoro-1-methyl-3-methylsulfonylazetidine
CID 155466454
3-Fluoro-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831350
3-(Fluoromethyl)-1-methyl-3-propan-2-ylsulfonylazetidine
CID 164831351
(1,1-Dioxothietan-3-yl)-(2-fluoroethyl)-dimethylazanium
CID 178137021
3-Fluoro-3-methyl-1-propan-2-ylsulfonylazetidine
CID 130639090
3-Fluoro-1-(2-methyl-2-methylsulfonylpropyl)azetidine
CID 130669910
3-Fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
CID 130684643
1-Ethylsulfonyl-3-fluoro-3-methylazetidine
CID 130991379
3-Fluoro-3-methyl-1-propylsulfonylazetidine
CID 131177035

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylsulfonylethyl)azetidine?
The IUPAC name of 3-fluoro-1-(2-methylsulfonylethyl)azetidine (CID 123907074) is 3-fluoro-1-(2-methylsulfonylethyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(2-methylsulfonylethyl)azetidine?
The canonical SMILES for 3-fluoro-1-(2-methylsulfonylethyl)azetidine is CS(=O)(=O)CCN1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(2-methylsulfonylethyl)azetidine?
The InChIKey is LSMSIZFVTYVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)3-2-8-4-6(7)5-8/h6H,2-5H2,1H3.
What are the key properties of 3-fluoro-1-(2-methylsulfonylethyl)azetidine?
3-fluoro-1-(2-methylsulfonylethyl)azetidine has a molecular weight of 181.23 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methylsulfonylethyl)azetidine is sourced from PubChem (CID 123907074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).