3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine

C6H11F2NO2S — CID 80604198

IUPAC3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCNC1(C(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C6H11F2NO2S/c1-9-6(5(7)8)2-3-12(10,11)4-6/h5,9H,2-4H2,1H3
InChIKeyVCVOWTIQWIXCBZ-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.03
Rot. Bonds2

About 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine

3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 80604198) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID80604198
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine
SMILESCNC1(C(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C6H11F2NO2S/c1-9-6(5(7)8)2-3-12(10,11)4-6/h5,9H,2-4H2,1H3
InChIKeyVCVOWTIQWIXCBZ-UHFFFAOYSA-N
XLogP0.03
TPSA46.17 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 ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine (CID 80604198) is 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine is CNC1(C(F)F)CCS(=O)(=O)C1.
What is the InChIKey of 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is VCVOWTIQWIXCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-9-6(5(7)8)2-3-12(10,11)4-6/h5,9H,2-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine?
3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 199.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 80604198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).