3,3-difluoro-1-propan-2-ylsulfonylazetidine

C6H11F2NO2S — CID 122269492

IUPAC3,3-difluoro-1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-5(2)12(10,11)9-3-6(7,8)4-9/h5H,3-4H2,1-2H3
InChIKeyDWYWLBKYRJMOKD-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.68
Rot. Bonds2

About 3,3-difluoro-1-propan-2-ylsulfonylazetidine

3,3-difluoro-1-propan-2-ylsulfonylazetidine (PubChem CID 122269492) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylsulfonylazetidine
PubChem CID122269492
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name3,3-difluoro-1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-5(2)12(10,11)9-3-6(7,8)4-9/h5H,3-4H2,1-2H3
InChIKeyDWYWLBKYRJMOKD-UHFFFAOYSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 3,3-difluoro-1-propan-2-ylsulfonylazetidine (CID 122269492) is 3,3-difluoro-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylsulfonylazetidine is CC(C)S(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylsulfonylazetidine?
The InChIKey is DWYWLBKYRJMOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-5(2)12(10,11)9-3-6(7,8)4-9/h5H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-1-propan-2-ylsulfonylazetidine?
3,3-difluoro-1-propan-2-ylsulfonylazetidine has a molecular weight of 199.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 122269492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).