1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride

C17H4F33NO8S2 — CID 158258540

About 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride

1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride (PubChem CID 158258540) has the molecular formula C17H4F33NO8S2 and a molecular weight of 1041.29 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride.

Molecular Properties

• Compound Name: 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
• PubChem CID: 158258540
• Molecular Formula: C17H4F33NO8S2
• Molecular Weight: 1041.29 g/mol
• Exact Mass: 1040.89
• IUPAC Name: 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
• SMILES: NS(=O)(=O)C(F)(F)C(F)(F)F.O=C(CS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C9H2F16O4S.C6F12O2.C2H2F5NO2S/c10-3(5(13,14)15,29-8(22,23)4(11,12)6(16,17)18)2(26)1-30(27,28)9(24,25)7(19,20)21;7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16;3-1(4,5)2(6,7)11(8,9)10/h1H2;;(H2,8,9,10)
• InChIKey: GHOWMHWOSFGRNJ-UHFFFAOYSA-N
• XLogP: 8.11
• TPSA: 146.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.29
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride?

The IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride (CID 158258540) is 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride.

What is the SMILES notation for 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride?

The canonical SMILES for 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride is NS(=O)(=O)C(F)(F)C(F)(F)F.O=C(CS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride?

The InChIKey is GHOWMHWOSFGRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16O4S.C6F12O2.C2H2F5NO2S/c10-3(5(13,14)15,29-8(22,23)4(11,12)6(16,17)18)2(26)1-30(27,28)9(24,25)7(19,20)21;7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16;3-1(4,5)2(6,7)11(8,9)10/h1H2;;(H2,8,9,10).

What are the key properties of 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride?

1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride has a molecular weight of 1041.29 g/mol, XLogP of 8.11, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,2-pentafluoroethanesulfonamide;3,4,4,4-tetrafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(1,1,2,2,2-pentafluoroethylsulfonyl)butan-2-one;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride is sourced from PubChem (CID 158258540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).