1-(difluoromethylsulfonyl)-3-methoxyazetidine

C5H9F2NO3S — CID 130890903

IUPAC1-(difluoromethylsulfonyl)-3-methoxyazetidine
SMILESCOC1CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C5H9F2NO3S/c1-11-4-2-8(3-4)12(9,10)5(6)7/h4-5H,2-3H2,1H3
InChIKeyLENPLKRMRZDGJK-UHFFFAOYSA-N
MW201.19 g/mol
LogP-0.13
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-3-methoxyazetidine

1-(difluoromethylsulfonyl)-3-methoxyazetidine (PubChem CID 130890903) has the molecular formula C5H9F2NO3S and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-methoxyazetidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-methoxyazetidine
PubChem CID130890903
Molecular FormulaC5H9F2NO3S
Molecular Weight201.19 g/mol
Exact Mass201.03
IUPAC Name1-(difluoromethylsulfonyl)-3-methoxyazetidine
SMILESCOC1CN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C5H9F2NO3S/c1-11-4-2-8(3-4)12(9,10)5(6)7/h4-5H,2-3H2,1H3
InChIKeyLENPLKRMRZDGJK-UHFFFAOYSA-N
XLogP-0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethylsulfonyl)-3-methoxyazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-methoxyazetidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-methoxyazetidine (CID 130890903) is 1-(difluoromethylsulfonyl)-3-methoxyazetidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-methoxyazetidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-methoxyazetidine is COC1CN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-methoxyazetidine?
The InChIKey is LENPLKRMRZDGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3S/c1-11-4-2-8(3-4)12(9,10)5(6)7/h4-5H,2-3H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-methoxyazetidine?
1-(difluoromethylsulfonyl)-3-methoxyazetidine has a molecular weight of 201.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-methoxyazetidine is sourced from PubChem (CID 130890903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).