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

C6H12FNO2S — CID 112563328

IUPAC3-fluoro-3-(2-methylsulfonylethyl)azetidine
SMILESCS(=O)(=O)CCC1(F)CNC1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)3-2-6(7)4-8-5-6/h8H,2-5H2,1H3
InChIKeyNQXAWQCCPFUYJR-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.27
Rot. Bonds3

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

3-fluoro-3-(2-methylsulfonylethyl)azetidine (PubChem CID 112563328) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylsulfonylethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylsulfonylethyl)azetidine
PubChem CID112563328
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-fluoro-3-(2-methylsulfonylethyl)azetidine
SMILESCS(=O)(=O)CCC1(F)CNC1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)3-2-6(7)4-8-5-6/h8H,2-5H2,1H3
InChIKeyNQXAWQCCPFUYJR-UHFFFAOYSA-N
XLogP-0.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-Methyl-3-((methylsulfonyl)methyl)azetidine
CID 154704276
3-(((Trifluoromethyl)sulfonyl)methyl)azetidine
CID 81197783
3-(Difluoromethanesulfonylmethyl)azetidine
CID 81197960
3-[2-(Trifluoromethylsulfonyl)ethyl]azetidine
CID 161794354
3-(3-Fluoropropylsulfonylmethyl)azetidine
CID 81196939
3-[(2-Fluoroethanesulfonyl)methyl]azetidine
CID 81197943
4-(fluoromethylsulfonyl)-N-methylbutan-1-amine
CID 84718784
3-Fluoro-3-(2-propylsulfonylethyl)azetidine
CID 106735904
3-(2-Tert-butylsulfonylethyl)-3-fluoroazetidine
CID 106735905
3-(2-Ethylsulfonylethyl)-3-fluoroazetidine
CID 106735906
3-Fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
CID 106735907
3-Fluoro-3-(3-methylsulfonylpropyl)azetidine
CID 112563382

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylsulfonylethyl)azetidine?
The IUPAC name of 3-fluoro-3-(2-methylsulfonylethyl)azetidine (CID 112563328) is 3-fluoro-3-(2-methylsulfonylethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2-methylsulfonylethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2-methylsulfonylethyl)azetidine is CS(=O)(=O)CCC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(2-methylsulfonylethyl)azetidine?
The InChIKey is NQXAWQCCPFUYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)3-2-6(7)4-8-5-6/h8H,2-5H2,1H3.
What are the key properties of 3-fluoro-3-(2-methylsulfonylethyl)azetidine?
3-fluoro-3-(2-methylsulfonylethyl)azetidine has a molecular weight of 181.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylsulfonylethyl)azetidine is sourced from PubChem (CID 112563328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).