(3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane

C8H16F2N2OS — CID 169016706

IUPAC(3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC(C)(C)C)N1CC(F)(F)C1
InChIInChI=1S/C8H16F2N2OS/c1-7(2,3)6-14(11,13)12-4-8(9,10)5-12/h11H,4-6H2,1-3H3
InChIKeyUOYQFYMPUPCXAE-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.95
Rot. Bonds2

About (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane

(3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane (PubChem CID 169016706) has the molecular formula C8H16F2N2OS and a molecular weight of 226.29 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane
PubChem CID169016706
Molecular FormulaC8H16F2N2OS
Molecular Weight226.29 g/mol
Exact Mass226.10
IUPAC Name(3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC(C)(C)C)N1CC(F)(F)C1
InChIInChI=1S/C8H16F2N2OS/c1-7(2,3)6-14(11,13)12-4-8(9,10)5-12/h11H,4-6H2,1-3H3
InChIKeyUOYQFYMPUPCXAE-UHFFFAOYSA-N
XLogP1.95
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-Dimethylpropylsulfonyl)-3,3-difluoroazetidine
CID 167544020
Tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-lambda6-sulfane
CID 169016715
(3,3-Difluoroazetidin-1-yl)-ethyl-imino-oxo-lambda6-sulfane
CID 170187979
Azetidin-1-yl-(2,2-dimethylpropyl)-imino-oxo-lambda6-sulfane
CID 169016730

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane (CID 169016706) is (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC(C)(C)C)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane?
The InChIKey is UOYQFYMPUPCXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2OS/c1-7(2,3)6-14(11,13)12-4-8(9,10)5-12/h11H,4-6H2,1-3H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane?
(3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane has a molecular weight of 226.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 169016706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).