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

C5H6F5NOS — CID 12589533

IUPAC2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide
SMILESO=C(NCCS)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NOS/c6-4(7,5(8,9)10)3(12)11-1-2-13/h13H,1-2H2,(H,11,12)
InChIKeyGYAXDFIHLNHYQH-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.23
Rot. Bonds3

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

2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide (PubChem CID 12589533) has the molecular formula C5H6F5NOS and a molecular weight of 223.17 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide
PubChem CID12589533
Molecular FormulaC5H6F5NOS
Molecular Weight223.17 g/mol
Exact Mass223.01
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide
SMILESO=C(NCCS)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NOS/c6-4(7,5(8,9)10)3(12)11-1-2-13/h13H,1-2H2,(H,11,12)
InChIKeyGYAXDFIHLNHYQH-UHFFFAOYSA-N
XLogP1.23
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide (CID 12589533) is 2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide is O=C(NCCS)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide?
The InChIKey is GYAXDFIHLNHYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NOS/c6-4(7,5(8,9)10)3(12)11-1-2-13/h13H,1-2H2,(H,11,12).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide?
2,2,3,3,3-pentafluoro-N-(2-sulfanylethyl)propanamide has a molecular weight of 223.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 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-sulfanylethyl)propanamide is sourced from PubChem (CID 12589533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).