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

C7H8F9NO2S — CID 22169334

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide
SMILESCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h17H,2-3H2,1H3
InChIKeyCCCYGFBNAZKKTO-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.74
Rot. Bonds6

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

1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide (PubChem CID 22169334) has the molecular formula C7H8F9NO2S and a molecular weight of 341.20 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide
PubChem CID22169334
Molecular FormulaC7H8F9NO2S
Molecular Weight341.20 g/mol
Exact Mass341.01
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide
SMILESCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h17H,2-3H2,1H3
InChIKeyCCCYGFBNAZKKTO-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
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 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide (CID 22169334) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide is CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide?
The InChIKey is CCCYGFBNAZKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F9NO2S/c1-2-3-17-20(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h17H,2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide has a molecular weight of 341.20 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 22169334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).