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

C5H10F2N2OS — CID 170187979

IUPAC(3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)N1CC(F)(F)C1
InChIInChI=1S/C5H10F2N2OS/c1-2-11(8,10)9-3-5(6,7)4-9/h8H,2-4H2,1H3
InChIKeyLVKMBFJKJVDHSI-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.92
Rot. Bonds2

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

(3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane (PubChem CID 170187979) has the molecular formula C5H10F2N2OS and a molecular weight of 184.21 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane
PubChem CID170187979
Molecular FormulaC5H10F2N2OS
Molecular Weight184.21 g/mol
Exact Mass184.05
IUPAC Name(3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)N1CC(F)(F)C1
InChIInChI=1S/C5H10F2N2OS/c1-2-11(8,10)9-3-5(6,7)4-9/h8H,2-4H2,1H3
InChIKeyLVKMBFJKJVDHSI-UHFFFAOYSA-N
XLogP0.92
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethylsulfonyl-3,3-difluoroazetidine
CID 122269489
3,3-Difluoro-1-propan-2-ylsulfonylazetidine
CID 122269492
3,3-Difluoro-1-methylsulfinylazetidine;ethane
CID 167493808
(3,3-Difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-lambda6-sulfane
CID 169016706
Tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-lambda6-sulfane
CID 169016715
(3,3-Difluoroazetidin-1-yl)-imino-methyl-oxo-lambda6-sulfane
CID 170187968
(3,3-Difluoroazetidin-1-yl)(imino)methyl-lambda6-sulfanone hydrochloride
CID 172885131
1-(Cyclopropanesulfonimidoyl)-3,3-difluoroazetidine hydrochloride
CID 172898695
Cyclopropyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-lambda6-sulfane
CID 172898696

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane (CID 170187979) is (3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane?
The InChIKey is LVKMBFJKJVDHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2OS/c1-2-11(8,10)9-3-5(6,7)4-9/h8H,2-4H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane?
(3,3-difluoroazetidin-1-yl)-ethyl-imino-oxo-λ6-sulfane has a molecular weight of 184.21 g/mol, XLogP of 0.92, 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)-ethyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 170187979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).