3,3-difluoro-1-methylsulfinylazetidine;ethane

C6H13F2NOS — CID 167493808

IUPAC3,3-difluoro-1-methylsulfinylazetidine;ethane
SMILESCC.CS(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H7F2NOS.C2H6/c1-9(8)7-2-4(5,6)3-7;1-2/h2-3H2,1H3;1-2H3
InChIKeyVXZSFDAKUAAGLJ-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.26
Rot. Bonds1

About 3,3-difluoro-1-methylsulfinylazetidine;ethane

3,3-difluoro-1-methylsulfinylazetidine;ethane (PubChem CID 167493808) has the molecular formula C6H13F2NOS and a molecular weight of 185.24 g/mol. Its IUPAC name is 3,3-difluoro-1-methylsulfinylazetidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-methylsulfinylazetidine;ethane
PubChem CID167493808
Molecular FormulaC6H13F2NOS
Molecular Weight185.24 g/mol
Exact Mass185.07
IUPAC Name3,3-difluoro-1-methylsulfinylazetidine;ethane
SMILESCC.CS(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H7F2NOS.C2H6/c1-9(8)7-2-4(5,6)3-7;1-2/h2-3H2,1H3;1-2H3
InChIKeyVXZSFDAKUAAGLJ-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoro-1-methylsulfonylazetidine
CID 89959683
(3,3-Difluoroazetidin-1-yl)-trimethyl-lambda4-sulfane
CID 123575328
3,3-Difluoro-1-methylsulfanylazetidine
CID 138479723
1-Methylsulfinyl-3-(trifluoromethyl)azetidine
CID 139502402
3,3-Difluoro-1-methylsulfinylazetidine
CID 167493791
(3,3-Difluoroazetidin-1-yl)-imino-methyl-oxo-lambda6-sulfane
CID 170187968
(3,3-Difluoroazetidin-1-yl)-ethyl-imino-oxo-lambda6-sulfane
CID 170187979
N-methyl-N-(2,2,2-trifluoroethyl)methanesulfinamide
CID 144531930
(3,3-Difluoroazetidin-1-yl)(imino)methyl-lambda6-sulfanone hydrochloride
CID 172885131
1-Methylsulfinylazetidine
CID 154986710

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylsulfinylazetidine;ethane?
The IUPAC name of 3,3-difluoro-1-methylsulfinylazetidine;ethane (CID 167493808) is 3,3-difluoro-1-methylsulfinylazetidine;ethane.
What is the SMILES notation for 3,3-difluoro-1-methylsulfinylazetidine;ethane?
The canonical SMILES for 3,3-difluoro-1-methylsulfinylazetidine;ethane is CC.CS(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylsulfinylazetidine;ethane?
The InChIKey is VXZSFDAKUAAGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NOS.C2H6/c1-9(8)7-2-4(5,6)3-7;1-2/h2-3H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-methylsulfinylazetidine;ethane?
3,3-difluoro-1-methylsulfinylazetidine;ethane has a molecular weight of 185.24 g/mol, XLogP of 1.26, 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;ethane is sourced from PubChem (CID 167493808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).