1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide

C10H7F16NO4S2 — CID 167233099

IUPAC1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C10H7F16NO4S2/c1-3(11,12)5(15,16)7(19,20)9(23,24)32(28,29)27-33(30,31)10(25,26)8(21,22)6(17,18)4(2,13)14/h27H,1-2H3
InChIKeyXZEYKEZNVBJBPQ-UHFFFAOYSA-N
MW573.27 g/mol
LogP4.27
Rot. Bonds10

About 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide

1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide (PubChem CID 167233099) has the molecular formula C10H7F16NO4S2 and a molecular weight of 573.27 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide
PubChem CID167233099
Molecular FormulaC10H7F16NO4S2
Molecular Weight573.27 g/mol
Exact Mass572.96
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C10H7F16NO4S2/c1-3(11,12)5(15,16)7(19,20)9(23,24)32(28,29)27-33(30,31)10(25,26)8(21,22)6(17,18)4(2,13)14/h27H,1-2H3
InChIKeyXZEYKEZNVBJBPQ-UHFFFAOYSA-N
XLogP4.27
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 171726332
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CID 58852815
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lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
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CID 171932401
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide (CID 167233099) is 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide?
The InChIKey is XZEYKEZNVBJBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F16NO4S2/c1-3(11,12)5(15,16)7(19,20)9(23,24)32(28,29)27-33(30,31)10(25,26)8(21,22)6(17,18)4(2,13)14/h27H,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide?
1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide has a molecular weight of 573.27 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-N-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pentane-1-sulfonamide is sourced from PubChem (CID 167233099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).