2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

C8H12F5NO2S — CID 106244449

IUPAC2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)(O)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO2S/c1-6(16,4-17-2)3-14-5(15)7(9,10)8(11,12)13/h16H,3-4H2,1-2H3,(H,14,15)
InChIKeyDYYISKCTELILRH-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.41
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide

2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide (PubChem CID 106244449) has the molecular formula C8H12F5NO2S and a molecular weight of 281.25 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
PubChem CID106244449
Molecular FormulaC8H12F5NO2S
Molecular Weight281.25 g/mol
Exact Mass281.05
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
SMILESCSCC(C)(O)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO2S/c1-6(16,4-17-2)3-14-5(15)7(9,10)8(11,12)13/h16H,3-4H2,1-2H3,(H,14,15)
InChIKeyDYYISKCTELILRH-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide (CID 106244449) is 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide is CSCC(C)(O)CNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
The InChIKey is DYYISKCTELILRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO2S/c1-6(16,4-17-2)3-14-5(15)7(9,10)8(11,12)13/h16H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide?
2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide has a molecular weight of 281.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 106244449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).