2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide

C7H12F3NO2S — CID 139320664

IUPAC2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide
SMILESCS(C)(C)C(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-14(2,3)5(12)4-11-6(13)7(8,9)10/h4H2,1-3H3,(H,11,13)
InChIKeyPKYMRJSHADEEDS-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.89
Rot. Bonds2

About 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide (PubChem CID 139320664) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide
PubChem CID139320664
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide
SMILESCS(C)(C)C(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-14(2,3)5(12)4-11-6(13)7(8,9)10/h4H2,1-3H3,(H,11,13)
InChIKeyPKYMRJSHADEEDS-UHFFFAOYSA-N
XLogP0.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylthioethyl)trifluoroacetamide
CID 22609837
N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
CID 88871209
S-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ethanethioate
CID 89216804
S-methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethanethioate
CID 139320665
N-[2-(2-acetamidoethylsulfanyl)ethyl]-2,2,2-trifluoroacetamide
CID 169687582
2-(2-methylsulfanylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646871
N-(2-methylsulfanylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957890
2,2,2-trifluoro-N-(2-methylsulfinylethyl)acetamide
CID 86119301
2,2-difluoro-N-(2-methylsulfanylethyl)acetamide
CID 103515486
2,2-difluoro-N-(2-methylsulfinylethyl)acetamide
CID 103516052
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 103630043
2-amino-N-[2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]ethyl]acetamide
CID 103630047

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide (CID 139320664) is 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide is CS(C)(C)C(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide?
The InChIKey is PKYMRJSHADEEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-14(2,3)5(12)4-11-6(13)7(8,9)10/h4H2,1-3H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide has a molecular weight of 231.24 g/mol, XLogP of 0.89, 2 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-oxo-2-(trimethyl-λ4-sulfanyl)ethyl]acetamide is sourced from PubChem (CID 139320664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).