2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C7H12F3NO2S — CID 103801501

IUPAC2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-4(5(3-12)14-2)11-6(13)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13)
InChIKeyPRGBACCUWVSUGY-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.78
Rot. Bonds4

About 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103801501) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103801501
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC Name2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c1-4(5(3-12)14-2)11-6(13)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13)
InChIKeyPRGBACCUWVSUGY-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103801501) is 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CSC(CO)C(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is PRGBACCUWVSUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-4(5(3-12)14-2)11-6(13)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 231.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103801501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).