2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide

C5H5F8NO2S — CID 87438581

IUPAC2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide
SMILESCC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H5F8NO2S/c1-2(6,17(14,15)16)3(7,8)4(9,10)5(11,12)13/h1H3,(H2,14,15,16)
InChIKeyJLCOWYSYOJWGMY-UHFFFAOYSA-N
MW295.15 g/mol
LogP1.79
Rot. Bonds3

About 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide

2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide (PubChem CID 87438581) has the molecular formula C5H5F8NO2S and a molecular weight of 295.15 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide.

Molecular Properties

Compound Name2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide
PubChem CID87438581
Molecular FormulaC5H5F8NO2S
Molecular Weight295.15 g/mol
Exact Mass294.99
IUPAC Name2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide
SMILESCC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H5F8NO2S/c1-2(6,17(14,15)16)3(7,8)4(9,10)5(11,12)13/h1H3,(H2,14,15,16)
InChIKeyJLCOWYSYOJWGMY-UHFFFAOYSA-N
XLogP1.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 51.79
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 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide?
The IUPAC name of 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide (CID 87438581) is 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide.
What is the SMILES notation for 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide?
The canonical SMILES for 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide is CC(F)(C(F)(F)C(F)(F)C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide?
The InChIKey is JLCOWYSYOJWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F8NO2S/c1-2(6,17(14,15)16)3(7,8)4(9,10)5(11,12)13/h1H3,(H2,14,15,16).
What are the key properties of 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide?
2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide has a molecular weight of 295.15 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,5-octafluoropentane-2-sulfonamide is sourced from PubChem (CID 87438581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).