3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine

C6H12FNO2S — CID 155466453

IUPAC3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine
SMILESCN1CC(CF)(S(C)(=O)=O)C1
InChIInChI=1S/C6H12FNO2S/c1-8-4-6(3-7,5-8)11(2,9)10/h3-5H2,1-2H3
InChIKeyWXZZLTPUFBWQBE-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.32
Rot. Bonds2

About 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine

3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine (PubChem CID 155466453) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine
PubChem CID155466453
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine
SMILESCN1CC(CF)(S(C)(=O)=O)C1
InChIInChI=1S/C6H12FNO2S/c1-8-4-6(3-7,5-8)11(2,9)10/h3-5H2,1-2H3
InChIKeyWXZZLTPUFBWQBE-UHFFFAOYSA-N
XLogP-0.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine?
The IUPAC name of 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine (CID 155466453) is 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine.
What is the SMILES notation for 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine?
The canonical SMILES for 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine is CN1CC(CF)(S(C)(=O)=O)C1.
What is the InChIKey of 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine?
The InChIKey is WXZZLTPUFBWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-8-4-6(3-7,5-8)11(2,9)10/h3-5H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine?
3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine has a molecular weight of 181.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-methyl-3-methylsulfonylazetidine is sourced from PubChem (CID 155466453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).