1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide

C10H6F17NO2S — CID 102145672

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide
SMILES[2H]C([2H])([2H])C([2H])([2H])NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3/i1D3,2D2
InChIKeyCCEKAJIANROZEO-ZBJDZAJPSA-N
MW532.23 g/mol
LogP4.89
Rot. Bonds10

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide (PubChem CID 102145672) has the molecular formula C10H6F17NO2S and a molecular weight of 532.23 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide
PubChem CID102145672
Molecular FormulaC10H6F17NO2S
Molecular Weight532.23 g/mol
Exact Mass532.02
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide
SMILES[2H]C([2H])([2H])C([2H])([2H])NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3/i1D3,2D2
InChIKeyCCEKAJIANROZEO-ZBJDZAJPSA-N
XLogP4.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.23
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide with MolForge

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Related Compounds

Volcano
CID 77797
1-Heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-methyl-
CID 109951
1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-Methylperfluorooctanesulfonamide
CID 3034468
N-(3-aminopropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 20436299
N-(3-aminopropyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
CID 49869204
N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Methyl-d3-perfluorooctanesulfonamide
CID 102403774
N-Propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 14512906
N-Butylperfluorooctane-1-sulfonamide
CID 22149415

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide (CID 102145672) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide is [2H]C([2H])([2H])C([2H])([2H])NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide?
The InChIKey is CCEKAJIANROZEO-ZBJDZAJPSA-N. The full InChI is InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3/i1D3,2D2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide has a molecular weight of 532.23 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(1,1,2,2,2-pentadeuterioethyl)octane-1-sulfonamide is sourced from PubChem (CID 102145672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).