2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide

C6H10F3NO2S — CID 130870064

IUPAC2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide
SMILESCN(CCS(C)=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-10(3-4-13(2)12)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyXWKAQPNYBDDOSA-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.39
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide

2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide (PubChem CID 130870064) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide
PubChem CID130870064
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide
SMILESCN(CCS(C)=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c1-10(3-4-13(2)12)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyXWKAQPNYBDDOSA-UHFFFAOYSA-N
XLogP0.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide (CID 130870064) is 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide is CN(CCS(C)=O)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide?
The InChIKey is XWKAQPNYBDDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-10(3-4-13(2)12)5(11)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide has a molecular weight of 217.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-methylsulfinylethyl)acetamide is sourced from PubChem (CID 130870064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).