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

C6H10F3NO3S — CID 78924935

IUPAC2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-10(3-4-14(2,12)13)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyQZGKOIPCBXJYIX-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.05
Rot. Bonds3

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

2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide (PubChem CID 78924935) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
PubChem CID78924935
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide
SMILESCN(CCS(C)(=O)=O)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-10(3-4-14(2,12)13)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyQZGKOIPCBXJYIX-UHFFFAOYSA-N
XLogP0.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide (CID 78924935) is 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide is CN(CCS(C)(=O)=O)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is QZGKOIPCBXJYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c1-10(3-4-14(2,12)13)5(11)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide?
2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 233.21 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 78924935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).