2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine

C6H11F2NO2S — CID 105452022

IUPAC2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H11F2NO2S/c7-6(8,4-9)5-1-2-12(10,11)3-5/h5H,1-4,9H2
InChIKeyCDMDAVIMAVSFCO-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.02
Rot. Bonds2

About 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine

2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine (PubChem CID 105452022) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine
PubChem CID105452022
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C6H11F2NO2S/c7-6(8,4-9)5-1-2-12(10,11)3-5/h5H,1-4,9H2
InChIKeyCDMDAVIMAVSFCO-UHFFFAOYSA-N
XLogP0.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine (CID 105452022) is 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine is NCC(F)(F)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine?
The InChIKey is CDMDAVIMAVSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-6(8,4-9)5-1-2-12(10,11)3-5/h5H,1-4,9H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine?
2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine has a molecular weight of 199.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 105452022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).