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

C7H14F2N2OS — CID 169016715

IUPACtert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(N1CC(F)(F)C1)C(C)(C)C
InChIInChI=1S/C7H14F2N2OS/c1-6(2,3)13(10,12)11-4-7(8,9)5-11/h10H,4-5H2,1-3H3
InChIKeyRCWLGBYTBIMFGG-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.70
Rot. Bonds1

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

tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane (PubChem CID 169016715) has the molecular formula C7H14F2N2OS and a molecular weight of 212.26 g/mol. Its IUPAC name is tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Nametert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane
PubChem CID169016715
Molecular FormulaC7H14F2N2OS
Molecular Weight212.26 g/mol
Exact Mass212.08
IUPAC Nametert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(N1CC(F)(F)C1)C(C)(C)C
InChIInChI=1S/C7H14F2N2OS/c1-6(2,3)13(10,12)11-4-7(8,9)5-11/h10H,4-5H2,1-3H3
InChIKeyRCWLGBYTBIMFGG-UHFFFAOYSA-N
XLogP1.70
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butylsulfonyl-3,3-difluoroazetidine
CID 139475227
(3,3-Difluoroazetidin-1-yl)-(2,2-dimethylpropyl)-imino-oxo-lambda6-sulfane
CID 169016706
(3,3-Difluoroazetidin-1-yl)-imino-methyl-oxo-lambda6-sulfane
CID 170187968
(3,3-Difluoroazetidin-1-yl)-ethyl-imino-oxo-lambda6-sulfane
CID 170187979
Tert-butyl-(3,3-difluoroazetidin-1-yl)-oxidosulfanium
CID 176327354
(3,3-Difluoroazetidin-1-yl)(imino)methyl-lambda6-sulfanone hydrochloride
CID 172885131
Azetidin-1-yl-tert-butyl-imino-oxo-lambda6-sulfane
CID 169016700

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane?
The IUPAC name of tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane (CID 169016715) is tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane.
What is the SMILES notation for tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane?
The canonical SMILES for tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane is [H]N=S(=O)(N1CC(F)(F)C1)C(C)(C)C.
What is the InChIKey of tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane?
The InChIKey is RCWLGBYTBIMFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2OS/c1-6(2,3)13(10,12)11-4-7(8,9)5-11/h10H,4-5H2,1-3H3.
What are the key properties of tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane?
tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane has a molecular weight of 212.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,3-difluoroazetidin-1-yl)-imino-oxo-λ6-sulfane is sourced from PubChem (CID 169016715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).