1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide

C8H14F5NO2S — CID 129294816

IUPAC1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide
SMILESCCCCCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NO2S/c1-2-3-4-5-6-14-17(15,16)8(12,13)7(9,10)11/h14H,2-6H2,1H3
InChIKeySZMBTFXJERDVEZ-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.64
Rot. Bonds7

About 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide

1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide (PubChem CID 129294816) has the molecular formula C8H14F5NO2S and a molecular weight of 283.26 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide
PubChem CID129294816
Molecular FormulaC8H14F5NO2S
Molecular Weight283.26 g/mol
Exact Mass283.07
IUPAC Name1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide
SMILESCCCCCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NO2S/c1-2-3-4-5-6-14-17(15,16)8(12,13)7(9,10)11/h14H,2-6H2,1H3
InChIKeySZMBTFXJERDVEZ-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide (CID 129294816) is 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide is CCCCCCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide?
The InChIKey is SZMBTFXJERDVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F5NO2S/c1-2-3-4-5-6-14-17(15,16)8(12,13)7(9,10)11/h14H,2-6H2,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide has a molecular weight of 283.26 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-hexylethanesulfonamide is sourced from PubChem (CID 129294816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).