2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide

C6H8F5NO2S — CID 86119514

IUPAC2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide
SMILESCS(=O)CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO2S/c1-15(14)3-2-12-4(13)5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13)
InChIKeyOLHHZPZFSYLSQN-UHFFFAOYSA-N
MW253.19 g/mol
LogP0.68
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide

2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide (PubChem CID 86119514) has the molecular formula C6H8F5NO2S and a molecular weight of 253.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide
PubChem CID86119514
Molecular FormulaC6H8F5NO2S
Molecular Weight253.19 g/mol
Exact Mass253.02
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide
SMILESCS(=O)CCNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO2S/c1-15(14)3-2-12-4(13)5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13)
InChIKeyOLHHZPZFSYLSQN-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylsulfinylethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide (CID 86119514) is 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide is CS(=O)CCNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide?
The InChIKey is OLHHZPZFSYLSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO2S/c1-15(14)3-2-12-4(13)5(7,8)6(9,10)11/h2-3H2,1H3,(H,12,13).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide?
2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide has a molecular weight of 253.19 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-methylsulfinylethyl)propanamide is sourced from PubChem (CID 86119514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).