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

C4H9ClF2N2OS — CID 172885131

IUPAC(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(C)(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H8F2N2OS.ClH/c1-10(7,9)8-2-4(5,6)3-8;/h7H,2-3H2,1H3;1H
InChIKeyVZMUHDDULLVWJP-UHFFFAOYSA-N
MW206.64 g/mol
LogP0.95
Rot. Bonds1

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

(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride (PubChem CID 172885131) has the molecular formula C4H9ClF2N2OS and a molecular weight of 206.64 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride
PubChem CID172885131
Molecular FormulaC4H9ClF2N2OS
Molecular Weight206.64 g/mol
Exact Mass206.01
IUPAC Name(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride
SMILESCl.[H]N=S(C)(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H8F2N2OS.ClH/c1-10(7,9)8-2-4(5,6)3-8;/h7H,2-3H2,1H3;1H
InChIKeyVZMUHDDULLVWJP-UHFFFAOYSA-N
XLogP0.95
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)-imino-methyl-oxo-lambda6-sulfane
CID 170187968
(3,3-Difluoroazetidin-1-yl)-ethyl-imino-oxo-lambda6-sulfane
CID 170187979

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride (CID 172885131) is (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride is Cl.[H]N=S(C)(=O)N1CC(F)(F)C1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride?
The InChIKey is VZMUHDDULLVWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2OS.ClH/c1-10(7,9)8-2-4(5,6)3-8;/h7H,2-3H2,1H3;1H.
What are the key properties of (3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride?
(3,3-difluoroazetidin-1-yl)-imino-methyl-oxo-λ6-sulfane;hydrochloride has a molecular weight of 206.64 g/mol, XLogP of 0.95, 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;hydrochloride is sourced from PubChem (CID 172885131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).