2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide

C6H6F7NOS — CID 141040255

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide
SMILESO=C(NCCS)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NOS/c7-4(8,3(15)14-1-2-16)5(9,10)6(11,12)13/h16H,1-2H2,(H,14,15)
InChIKeyUAQLFENEOOULIS-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.87
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide (PubChem CID 141040255) has the molecular formula C6H6F7NOS and a molecular weight of 273.17 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide
PubChem CID141040255
Molecular FormulaC6H6F7NOS
Molecular Weight273.17 g/mol
Exact Mass273.01
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide
SMILESO=C(NCCS)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F7NOS/c7-4(8,3(15)14-1-2-16)5(9,10)6(11,12)13/h16H,1-2H2,(H,14,15)
InChIKeyUAQLFENEOOULIS-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.87
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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Related Compounds

2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
CID 614782
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-[6-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoylamino)hexyl]hexanamide
CID 177421303
3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl-hydroxy-dimethylazanium
CID 163324496
6-(2,2,3,3,4,4,4-heptafluorobutanoylamino)hexyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91736164
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
CID 4165117
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(3-methylbutyl)heptanamide
CID 3089865
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methylbutyl)nonanamide
CID 3089869
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide (CID 141040255) is 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide is O=C(NCCS)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide?
The InChIKey is UAQLFENEOOULIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NOS/c7-4(8,3(15)14-1-2-16)5(9,10)6(11,12)13/h16H,1-2H2,(H,14,15).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide has a molecular weight of 273.17 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(2-sulfanylethyl)butanamide is sourced from PubChem (CID 141040255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).