3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine

C7H14FNO2S — CID 130684643

IUPAC3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
SMILESCC(CS(C)(=O)=O)N1CC(F)C1
InChIInChI=1S/C7H14FNO2S/c1-6(5-12(2,10)11)9-3-7(8)4-9/h6-7H,3-5H2,1-2H3
InChIKeyJUOJMHSHWYHHSF-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.07
Rot. Bonds3

About 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine

3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine (PubChem CID 130684643) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
PubChem CID130684643
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine
SMILESCC(CS(C)(=O)=O)N1CC(F)C1
InChIInChI=1S/C7H14FNO2S/c1-6(5-12(2,10)11)9-3-7(8)4-9/h6-7H,3-5H2,1-2H3
InChIKeyJUOJMHSHWYHHSF-UHFFFAOYSA-N
XLogP0.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-1-(2-methylsulfonylethyl)azetidine
CID 123907074
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
(1,1-Dioxothietan-3-yl)-(2-fluoroethyl)-dimethylazanium
CID 178137021
N,N-dimethyl-1,1-dioxothietan-3-amine
CID 86191540
N,N,2-trimethyl-1,1-dioxothietan-3-amine
CID 134895548
3-(3-Fluoroazetidin-1-yl)thiane 1,1-dioxide
CID 131019930
N-(2-fluoroethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 131089518
3-Methylsulfonyl-1-propan-2-ylazetidine
CID 22896260
1-Methyl-3-methylsulfonylazetidine
CID 60002558
1-Ethyl-3-(methylsulfonylmethyl)azetidine
CID 66972312

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine?
The IUPAC name of 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine (CID 130684643) is 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine.
What is the SMILES notation for 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine?
The canonical SMILES for 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine is CC(CS(C)(=O)=O)N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine?
The InChIKey is JUOJMHSHWYHHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-6(5-12(2,10)11)9-3-7(8)4-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine?
3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine has a molecular weight of 195.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-methylsulfonylpropan-2-yl)azetidine is sourced from PubChem (CID 130684643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).