3-fluoro-1-methyl-3-methylsulfonylazetidine

C5H10FNO2S — CID 155466454

IUPAC3-fluoro-1-methyl-3-methylsulfonylazetidine
SMILESCN1CC(F)(S(C)(=O)=O)C1
InChIInChI=1S/C5H10FNO2S/c1-7-3-5(6,4-7)10(2,8)9/h3-4H2,1-2H3
InChIKeyKFFSRFNTKGMCMP-UHFFFAOYSA-N
MW167.20 g/mol
LogP-0.36
Rot. Bonds1

About 3-fluoro-1-methyl-3-methylsulfonylazetidine

3-fluoro-1-methyl-3-methylsulfonylazetidine (PubChem CID 155466454) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3-methylsulfonylazetidine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3-methylsulfonylazetidine
PubChem CID155466454
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name3-fluoro-1-methyl-3-methylsulfonylazetidine
SMILESCN1CC(F)(S(C)(=O)=O)C1
InChIInChI=1S/C5H10FNO2S/c1-7-3-5(6,4-7)10(2,8)9/h3-4H2,1-2H3
InChIKeyKFFSRFNTKGMCMP-UHFFFAOYSA-N
XLogP-0.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3-methylsulfonylazetidine?
The IUPAC name of 3-fluoro-1-methyl-3-methylsulfonylazetidine (CID 155466454) is 3-fluoro-1-methyl-3-methylsulfonylazetidine.
What is the SMILES notation for 3-fluoro-1-methyl-3-methylsulfonylazetidine?
The canonical SMILES for 3-fluoro-1-methyl-3-methylsulfonylazetidine is CN1CC(F)(S(C)(=O)=O)C1.
What is the InChIKey of 3-fluoro-1-methyl-3-methylsulfonylazetidine?
The InChIKey is KFFSRFNTKGMCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c1-7-3-5(6,4-7)10(2,8)9/h3-4H2,1-2H3.
What are the key properties of 3-fluoro-1-methyl-3-methylsulfonylazetidine?
3-fluoro-1-methyl-3-methylsulfonylazetidine has a molecular weight of 167.20 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3-methylsulfonylazetidine is sourced from PubChem (CID 155466454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).