2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane

C6H11F2NS2 — CID 135176666

IUPAC2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane
SMILESCS(=S)CCN1CC(F)(F)C1
InChIInChI=1S/C6H11F2NS2/c1-11(10)3-2-9-4-6(7,8)5-9/h2-5H2,1H3
InChIKeyKIVAUBIAJNPBET-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.65
Rot. Bonds3

About 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane

2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane (PubChem CID 135176666) has the molecular formula C6H11F2NS2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane
PubChem CID135176666
Molecular FormulaC6H11F2NS2
Molecular Weight199.29 g/mol
Exact Mass199.03
IUPAC Name2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane
SMILESCS(=S)CCN1CC(F)(F)C1
InChIInChI=1S/C6H11F2NS2/c1-11(10)3-2-9-4-6(7,8)5-9/h2-5H2,1H3
InChIKeyKIVAUBIAJNPBET-UHFFFAOYSA-N
XLogP0.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane (CID 135176666) is 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane is CS(=S)CCN1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane?
The InChIKey is KIVAUBIAJNPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS2/c1-11(10)3-2-9-4-6(7,8)5-9/h2-5H2,1H3.
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane?
2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane has a molecular weight of 199.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)ethyl-methyl-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 135176666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).