3-(2-ethylsulfonylethyl)-3-fluoroazetidine

C7H14FNO2S — CID 106735906

IUPAC3-(2-ethylsulfonylethyl)-3-fluoroazetidine
SMILESCCS(=O)(=O)CCC1(F)CNC1
InChIInChI=1S/C7H14FNO2S/c1-2-12(10,11)4-3-7(8)5-9-6-7/h9H,2-6H2,1H3
InChIKeyCTKBVZJPENGMBC-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.12
Rot. Bonds4

About 3-(2-ethylsulfonylethyl)-3-fluoroazetidine

3-(2-ethylsulfonylethyl)-3-fluoroazetidine (PubChem CID 106735906) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(2-ethylsulfonylethyl)-3-fluoroazetidine
PubChem CID106735906
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-(2-ethylsulfonylethyl)-3-fluoroazetidine
SMILESCCS(=O)(=O)CCC1(F)CNC1
InChIInChI=1S/C7H14FNO2S/c1-2-12(10,11)4-3-7(8)5-9-6-7/h9H,2-6H2,1H3
InChIKeyCTKBVZJPENGMBC-UHFFFAOYSA-N
XLogP0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Thia-2-azaspiro[3.4]octane 6,6-dioxide
CID 84651272
3-[2-(Trifluoromethylsulfonyl)ethyl]azetidine
CID 161794354
3-(2,2-Difluoroethylsulfonylmethyl)azetidine
CID 81196505
3-(3-Fluoropropylsulfonylmethyl)azetidine
CID 81196939
3-(3,3,3-Trifluoropropylsulfonylmethyl)azetidine
CID 81197079
3-(2,2,2-Trifluoroethylsulfonylmethyl)azetidine
CID 81197270
3-[(2-Fluoroethanesulfonyl)methyl]azetidine
CID 81197943
3-Fluoro-3-(2-propylsulfonylethyl)azetidine
CID 106735904
3-(2-Tert-butylsulfonylethyl)-3-fluoroazetidine
CID 106735905
3-Fluoro-3-(2-propan-2-ylsulfonylethyl)azetidine
CID 106735907
3-Fluoro-3-(2-methylsulfonylethyl)azetidine
CID 112563328
3-Fluoro-3-(3-methylsulfonylpropyl)azetidine
CID 112563382

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethyl)-3-fluoroazetidine?
The IUPAC name of 3-(2-ethylsulfonylethyl)-3-fluoroazetidine (CID 106735906) is 3-(2-ethylsulfonylethyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(2-ethylsulfonylethyl)-3-fluoroazetidine?
The canonical SMILES for 3-(2-ethylsulfonylethyl)-3-fluoroazetidine is CCS(=O)(=O)CCC1(F)CNC1.
What is the InChIKey of 3-(2-ethylsulfonylethyl)-3-fluoroazetidine?
The InChIKey is CTKBVZJPENGMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-2-12(10,11)4-3-7(8)5-9-6-7/h9H,2-6H2,1H3.
What are the key properties of 3-(2-ethylsulfonylethyl)-3-fluoroazetidine?
3-(2-ethylsulfonylethyl)-3-fluoroazetidine has a molecular weight of 195.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethyl)-3-fluoroazetidine is sourced from PubChem (CID 106735906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).