3-(2,2-difluoroethylsulfonylmethyl)azetidine

C6H11F2NO2S — CID 81196505

IUPAC3-(2,2-difluoroethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC(F)F)CC1CNC1
InChIInChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)3-5-1-9-2-5/h5-6,9H,1-4H2
InChIKeyWLMZEICBULEVTE-UHFFFAOYSA-N
MW199.22 g/mol
LogP-0.11
Rot. Bonds4

About 3-(2,2-difluoroethylsulfonylmethyl)azetidine

3-(2,2-difluoroethylsulfonylmethyl)azetidine (PubChem CID 81196505) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(2,2-difluoroethylsulfonylmethyl)azetidine
PubChem CID81196505
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name3-(2,2-difluoroethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC(F)F)CC1CNC1
InChIInChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)3-5-1-9-2-5/h5-6,9H,1-4H2
InChIKeyWLMZEICBULEVTE-UHFFFAOYSA-N
XLogP-0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylsulfonylmethyl)azetidine?
The IUPAC name of 3-(2,2-difluoroethylsulfonylmethyl)azetidine (CID 81196505) is 3-(2,2-difluoroethylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(2,2-difluoroethylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(2,2-difluoroethylsulfonylmethyl)azetidine is O=S(=O)(CC(F)F)CC1CNC1.
What is the InChIKey of 3-(2,2-difluoroethylsulfonylmethyl)azetidine?
The InChIKey is WLMZEICBULEVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)3-5-1-9-2-5/h5-6,9H,1-4H2.
What are the key properties of 3-(2,2-difluoroethylsulfonylmethyl)azetidine?
3-(2,2-difluoroethylsulfonylmethyl)azetidine has a molecular weight of 199.22 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylsulfonylmethyl)azetidine is sourced from PubChem (CID 81196505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).