2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

C8H12F5NO2S — CID 114151273

IUPAC2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO2S/c1-4(5(3-15)17-2)14-6(16)7(9,10)8(11,12)13/h4-5,15H,3H2,1-2H3,(H,14,16)
InChIKeyGEFJJRBPRWOSJU-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.41
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (PubChem CID 114151273) 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-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
PubChem CID114151273
Molecular FormulaC8H12F5NO2S
Molecular Weight281.25 g/mol
Exact Mass281.05
IUPAC Name2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCSC(CO)C(C)NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO2S/c1-4(5(3-15)17-2)14-6(16)7(9,10)8(11,12)13/h4-5,15H,3H2,1-2H3,(H,14,16)
InChIKeyGEFJJRBPRWOSJU-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (CID 114151273) is 2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is CSC(CO)C(C)NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is GEFJJRBPRWOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO2S/c1-4(5(3-15)17-2)14-6(16)7(9,10)8(11,12)13/h4-5,15H,3H2,1-2H3,(H,14,16).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)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-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 114151273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).