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

C5H8F3NOS — CID 22609837

IUPAC2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NOS/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyZTNUCKSQJANOAC-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.03
Rot. Bonds3

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

2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide (PubChem CID 22609837) has the molecular formula C5H8F3NOS and a molecular weight of 187.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide
PubChem CID22609837
Molecular FormulaC5H8F3NOS
Molecular Weight187.19 g/mol
Exact Mass187.03
IUPAC Name2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NOS/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyZTNUCKSQJANOAC-UHFFFAOYSA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide (CID 22609837) is 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide is CSCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide?
The InChIKey is ZTNUCKSQJANOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NOS/c1-11-3-2-9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide?
2,2,2-trifluoro-N-(2-methylsulfanylethyl)acetamide has a molecular weight of 187.19 g/mol, XLogP of 1.03, 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-methylsulfanylethyl)acetamide is sourced from PubChem (CID 22609837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).