2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

C9H16F3NO2S — CID 103942936

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESCC(C)(C)OCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-8(2,3)15-6-7(14)13-4-5-16-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyJYHGLZCYHOZZCY-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.17
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide

2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (PubChem CID 103942936) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
PubChem CID103942936
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
SMILESCC(C)(C)OCC(=O)NCCSC(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-8(2,3)15-6-7(14)13-4-5-16-9(10,11)12/h4-6H2,1-3H3,(H,13,14)
InChIKeyJYHGLZCYHOZZCY-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide (CID 103942936) is 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is CC(C)(C)OCC(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
The InChIKey is JYHGLZCYHOZZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-8(2,3)15-6-7(14)13-4-5-16-9(10,11)12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide has a molecular weight of 259.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 103942936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).