2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide

C4H4F3NO2S — CID 141348896

IUPAC2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=S=CC(=O)NCC(F)(F)F
InChIInChI=1S/C4H4F3NO2S/c5-4(6,7)2-8-3(9)1-11-10/h1H,2H2,(H,8,9)
InChIKeyKZNKXZHMTGPXBW-UHFFFAOYSA-N
MW187.14 g/mol
LogP-0.32
Rot. Bonds2

About 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide

2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 141348896) has the molecular formula C4H4F3NO2S and a molecular weight of 187.14 g/mol. Its IUPAC name is 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID141348896
Molecular FormulaC4H4F3NO2S
Molecular Weight187.14 g/mol
Exact Mass186.99
IUPAC Name2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=S=CC(=O)NCC(F)(F)F
InChIInChI=1S/C4H4F3NO2S/c5-4(6,7)2-8-3(9)1-11-10/h1H,2H2,(H,8,9)
InChIKeyKZNKXZHMTGPXBW-UHFFFAOYSA-N
XLogP-0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide (CID 141348896) is 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide is O=S=CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KZNKXZHMTGPXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2S/c5-4(6,7)2-8-3(9)1-11-10/h1H,2H2,(H,8,9).
What are the key properties of 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide?
2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 187.14 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 141348896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).