3,3-difluoro-1-methylsulfinylazetidine

C4H7F2NOS — CID 167493791

IUPAC3,3-difluoro-1-methylsulfinylazetidine
SMILESCS(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H7F2NOS/c1-9(8)7-2-4(5,6)3-7/h2-3H2,1H3
InChIKeyHEWLCVBQAICZLZ-UHFFFAOYSA-N
MW155.17 g/mol
LogP0.23
Rot. Bonds1

About 3,3-difluoro-1-methylsulfinylazetidine

3,3-difluoro-1-methylsulfinylazetidine (PubChem CID 167493791) has the molecular formula C4H7F2NOS and a molecular weight of 155.17 g/mol. Its IUPAC name is 3,3-difluoro-1-methylsulfinylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-methylsulfinylazetidine
PubChem CID167493791
Molecular FormulaC4H7F2NOS
Molecular Weight155.17 g/mol
Exact Mass155.02
IUPAC Name3,3-difluoro-1-methylsulfinylazetidine
SMILESCS(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H7F2NOS/c1-9(8)7-2-4(5,6)3-7/h2-3H2,1H3
InChIKeyHEWLCVBQAICZLZ-UHFFFAOYSA-N
XLogP0.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylsulfinylazetidine?
The IUPAC name of 3,3-difluoro-1-methylsulfinylazetidine (CID 167493791) is 3,3-difluoro-1-methylsulfinylazetidine.
What is the SMILES notation for 3,3-difluoro-1-methylsulfinylazetidine?
The canonical SMILES for 3,3-difluoro-1-methylsulfinylazetidine is CS(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylsulfinylazetidine?
The InChIKey is HEWLCVBQAICZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NOS/c1-9(8)7-2-4(5,6)3-7/h2-3H2,1H3.
What are the key properties of 3,3-difluoro-1-methylsulfinylazetidine?
3,3-difluoro-1-methylsulfinylazetidine has a molecular weight of 155.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylsulfinylazetidine is sourced from PubChem (CID 167493791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).