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

C4H8F2N2OS — CID 170187968

IUPAC(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H8F2N2OS/c1-10(7,9)8-2-4(5,6)3-8/h7H,2-3H2,1H3
InChIKeyOQPOWTRPDKPESF-UHFFFAOYSA-N
MW170.18 g/mol
LogP0.53
Rot. Bonds1

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

(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 170187968) has the molecular formula C4H8F2N2OS and a molecular weight of 170.18 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane
PubChem CID170187968
Molecular FormulaC4H8F2N2OS
Molecular Weight170.18 g/mol
Exact Mass170.03
IUPAC Name(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H8F2N2OS/c1-10(7,9)8-2-4(5,6)3-8/h7H,2-3H2,1H3
InChIKeyOQPOWTRPDKPESF-UHFFFAOYSA-N
XLogP0.53
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylsulfinyl-3-(trifluoromethyl)azetidine
CID 139502402
3,3-Difluoro-1-methylsulfinylazetidine
CID 167493791
3,3-Difluoro-1-methylsulfinylazetidine;ethane
CID 167493808
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
(3,3-Difluoroazetidin-1-yl)(imino)methyl-lambda6-sulfanone hydrochloride
CID 172885131
Azetidin-1-yl-imino-methyl-oxo-lambda6-sulfane
CID 170187967

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane (CID 170187968) is (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is OQPOWTRPDKPESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2OS/c1-10(7,9)8-2-4(5,6)3-8/h7H,2-3H2,1H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane?
(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 170.18 g/mol, XLogP of 0.53, 1 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)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 170187968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).