2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

C7H12F3NO2S — CID 106509718

IUPAC2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCC(C)(O)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-6(2,13)5(12)11-3-4-14-7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12)
InChIKeyWBPORJCSKQTHTO-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.13
Rot. Bonds4

About 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide

2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (PubChem CID 106509718) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
PubChem CID106509718
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
SMILESCC(C)(O)C(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-6(2,13)5(12)11-3-4-14-7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12)
InChIKeyWBPORJCSKQTHTO-UHFFFAOYSA-N
XLogP1.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide (CID 106509718) is 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is CC(C)(O)C(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
The InChIKey is WBPORJCSKQTHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-6(2,13)5(12)11-3-4-14-7(8,9)10/h13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide?
2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide has a molecular weight of 231.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 106509718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).