1-ethylsulfonyl-3,3-difluoroazetidine

C5H9F2NO2S — CID 122269489

IUPAC1-ethylsulfonyl-3,3-difluoroazetidine
SMILESCCS(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO2S/c1-2-11(9,10)8-3-5(6,7)4-8/h2-4H2,1H3
InChIKeyFDFJZZWWFKVWQQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.29
Rot. Bonds2

About 1-ethylsulfonyl-3,3-difluoroazetidine

1-ethylsulfonyl-3,3-difluoroazetidine (PubChem CID 122269489) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-ethylsulfonyl-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3,3-difluoroazetidine
PubChem CID122269489
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name1-ethylsulfonyl-3,3-difluoroazetidine
SMILESCCS(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C5H9F2NO2S/c1-2-11(9,10)8-3-5(6,7)4-8/h2-4H2,1H3
InChIKeyFDFJZZWWFKVWQQ-UHFFFAOYSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-ethylsulfonyl-3,3-difluoroazetidine?
The IUPAC name of 1-ethylsulfonyl-3,3-difluoroazetidine (CID 122269489) is 1-ethylsulfonyl-3,3-difluoroazetidine.
What is the SMILES notation for 1-ethylsulfonyl-3,3-difluoroazetidine?
The canonical SMILES for 1-ethylsulfonyl-3,3-difluoroazetidine is CCS(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-ethylsulfonyl-3,3-difluoroazetidine?
The InChIKey is FDFJZZWWFKVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c1-2-11(9,10)8-3-5(6,7)4-8/h2-4H2,1H3.
What are the key properties of 1-ethylsulfonyl-3,3-difluoroazetidine?
1-ethylsulfonyl-3,3-difluoroazetidine has a molecular weight of 185.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3,3-difluoroazetidine is sourced from PubChem (CID 122269489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).