2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide

C6H11F2NO2S — CID 103516057

IUPAC2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide
SMILESCC(CNC(=O)C(F)F)S(C)=O
InChIInChI=1S/C6H11F2NO2S/c1-4(12(2)11)3-9-6(10)5(7)8/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyPWSBTKBJZYGNRD-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.13
Rot. Bonds4

About 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide

2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide (PubChem CID 103516057) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide
PubChem CID103516057
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide
SMILESCC(CNC(=O)C(F)F)S(C)=O
InChIInChI=1S/C6H11F2NO2S/c1-4(12(2)11)3-9-6(10)5(7)8/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyPWSBTKBJZYGNRD-UHFFFAOYSA-N
XLogP0.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide (CID 103516057) is 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide is CC(CNC(=O)C(F)F)S(C)=O.
What is the InChIKey of 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide?
The InChIKey is PWSBTKBJZYGNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-4(12(2)11)3-9-6(10)5(7)8/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide?
2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide has a molecular weight of 199.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methylsulfinylpropyl)acetamide is sourced from PubChem (CID 103516057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).