1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide

C8H6F13NO2S — CID 125498344

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F13NO2S/c1-22(2)25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h1-2H3
InChIKeyXXWVQQPYWSIJGT-UHFFFAOYSA-N
MW427.18 g/mol
LogP3.57
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide (PubChem CID 125498344) has the molecular formula C8H6F13NO2S and a molecular weight of 427.18 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide
PubChem CID125498344
Molecular FormulaC8H6F13NO2S
Molecular Weight427.18 g/mol
Exact Mass426.99
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F13NO2S/c1-22(2)25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h1-2H3
InChIKeyXXWVQQPYWSIJGT-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.18
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide (CID 125498344) is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide is CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide?
The InChIKey is XXWVQQPYWSIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F13NO2S/c1-22(2)25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide?
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide has a molecular weight of 427.18 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide is sourced from PubChem (CID 125498344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).