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

C5H8F3NO2S — CID 86119301

IUPAC2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide
SMILESCS(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-12(11)3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyBVHPJOIHOLECAL-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.04
Rot. Bonds3

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

2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide (PubChem CID 86119301) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide
PubChem CID86119301
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide
SMILESCS(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-12(11)3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyBVHPJOIHOLECAL-UHFFFAOYSA-N
XLogP0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide (CID 86119301) is 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide is CS(=O)CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide?
The InChIKey is BVHPJOIHOLECAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-12(11)3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide?
2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide has a molecular weight of 203.18 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide is sourced from PubChem (CID 86119301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).