1-(2,2-difluoroethylsulfonyl)azetidine

C5H9F2NO2S — CID 164660591

IUPAC1-(2,2-difluoroethylsulfonyl)azetidine
SMILESO=S(=O)(CC(F)F)N1CCC1
InChIInChI=1S/C5H9F2NO2S/c6-5(7)4-11(9,10)8-2-1-3-8/h5H,1-4H2
InChIKeyAUJBRWCOEBBHQN-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.29
Rot. Bonds3

About 1-(2,2-difluoroethylsulfonyl)azetidine

1-(2,2-difluoroethylsulfonyl)azetidine (PubChem CID 164660591) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethylsulfonyl)azetidine.

Molecular Properties

Compound Name1-(2,2-difluoroethylsulfonyl)azetidine
PubChem CID164660591
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name1-(2,2-difluoroethylsulfonyl)azetidine
SMILESO=S(=O)(CC(F)F)N1CCC1
InChIInChI=1S/C5H9F2NO2S/c6-5(7)4-11(9,10)8-2-1-3-8/h5H,1-4H2
InChIKeyAUJBRWCOEBBHQN-UHFFFAOYSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylsulfonyl)azetidine?
The IUPAC name of 1-(2,2-difluoroethylsulfonyl)azetidine (CID 164660591) is 1-(2,2-difluoroethylsulfonyl)azetidine.
What is the SMILES notation for 1-(2,2-difluoroethylsulfonyl)azetidine?
The canonical SMILES for 1-(2,2-difluoroethylsulfonyl)azetidine is O=S(=O)(CC(F)F)N1CCC1.
What is the InChIKey of 1-(2,2-difluoroethylsulfonyl)azetidine?
The InChIKey is AUJBRWCOEBBHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c6-5(7)4-11(9,10)8-2-1-3-8/h5H,1-4H2.
What are the key properties of 1-(2,2-difluoroethylsulfonyl)azetidine?
1-(2,2-difluoroethylsulfonyl)azetidine has a molecular weight of 185.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylsulfonyl)azetidine is sourced from PubChem (CID 164660591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).