1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide

C6H6F9NO2S — CID 175483002

IUPAC1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide
SMILESCN(C)S(=O)(=O)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9NO2S/c1-16(2)19(17,18)4(9,6(13,14)15)3(7,8)5(10,11)12/h1-2H3
InChIKeyNRNYQMIGMTWTIK-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.30
Rot. Bonds3

About 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide

1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide (PubChem CID 175483002) has the molecular formula C6H6F9NO2S and a molecular weight of 327.17 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide
PubChem CID175483002
Molecular FormulaC6H6F9NO2S
Molecular Weight327.17 g/mol
Exact Mass327.00
IUPAC Name1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide
SMILESCN(C)S(=O)(=O)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9NO2S/c1-16(2)19(17,18)4(9,6(13,14)15)3(7,8)5(10,11)12/h1-2H3
InChIKeyNRNYQMIGMTWTIK-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.30
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 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide?
The IUPAC name of 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide (CID 175483002) is 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide.
What is the SMILES notation for 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide?
The canonical SMILES for 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide is CN(C)S(=O)(=O)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide?
The InChIKey is NRNYQMIGMTWTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F9NO2S/c1-16(2)19(17,18)4(9,6(13,14)15)3(7,8)5(10,11)12/h1-2H3.
What are the key properties of 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide?
1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide has a molecular weight of 327.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4,4-nonafluoro-N,N-dimethylbutane-2-sulfonamide is sourced from PubChem (CID 175483002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).