3-(difluoromethylsulfonylmethyl)azetidine

C5H9F2NO2S — CID 81197960

IUPAC3-(difluoromethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC1CNC1)C(F)F
InChIInChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)3-4-1-8-2-4/h4-5,8H,1-3H2
InChIKeyYCLQNJHPKNMRBX-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.16
Rot. Bonds3

About 3-(difluoromethylsulfonylmethyl)azetidine

3-(difluoromethylsulfonylmethyl)azetidine (PubChem CID 81197960) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylmethyl)azetidine.

Molecular Properties

Compound Name3-(difluoromethylsulfonylmethyl)azetidine
PubChem CID81197960
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name3-(difluoromethylsulfonylmethyl)azetidine
SMILESO=S(=O)(CC1CNC1)C(F)F
InChIInChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)3-4-1-8-2-4/h4-5,8H,1-3H2
InChIKeyYCLQNJHPKNMRBX-UHFFFAOYSA-N
XLogP-0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylmethyl)azetidine?
The IUPAC name of 3-(difluoromethylsulfonylmethyl)azetidine (CID 81197960) is 3-(difluoromethylsulfonylmethyl)azetidine.
What is the SMILES notation for 3-(difluoromethylsulfonylmethyl)azetidine?
The canonical SMILES for 3-(difluoromethylsulfonylmethyl)azetidine is O=S(=O)(CC1CNC1)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonylmethyl)azetidine?
The InChIKey is YCLQNJHPKNMRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)3-4-1-8-2-4/h4-5,8H,1-3H2.
What are the key properties of 3-(difluoromethylsulfonylmethyl)azetidine?
3-(difluoromethylsulfonylmethyl)azetidine has a molecular weight of 185.19 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylmethyl)azetidine is sourced from PubChem (CID 81197960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).