1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide

C8H4F16N2O4S2 — CID 87586579

IUPAC1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide
SMILESNS(=O)(=O)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C8H4F16N2O4S2/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,31(25,27)28)32(26,29)30/h(H2,25,27,28)(H2,26,29,30)
InChIKeySDWSWUODLXBUHC-UHFFFAOYSA-N
MW560.23 g/mol
LogP2.56
Rot. Bonds8

About 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide

1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide (PubChem CID 87586579) has the molecular formula C8H4F16N2O4S2 and a molecular weight of 560.23 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide
PubChem CID87586579
Molecular FormulaC8H4F16N2O4S2
Molecular Weight560.23 g/mol
Exact Mass559.94
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide
SMILESNS(=O)(=O)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C8H4F16N2O4S2/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,31(25,27)28)32(26,29)30/h(H2,25,27,28)(H2,26,29,30)
InChIKeySDWSWUODLXBUHC-UHFFFAOYSA-N
XLogP2.56
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide (CID 87586579) is 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide is NS(=O)(=O)C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide?
The InChIKey is SDWSWUODLXBUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F16N2O4S2/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,31(25,27)28)32(26,29)30/h(H2,25,27,28)(H2,26,29,30).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide?
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide has a molecular weight of 560.23 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide is sourced from PubChem (CID 87586579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).