1,1,2,2,3,3-hexafluoropropane-1-sulfonamide

C3H3F6NO2S — CID 162553244

IUPAC1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C3H3F6NO2S/c4-1(5)2(6,7)3(8,9)13(10,11)12/h1H,(H2,10,11,12)
InChIKeyHWFYFFVGPCPMPF-UHFFFAOYSA-N
MW231.12 g/mol
LogP0.77
Rot. Bonds3

About 1,1,2,2,3,3-hexafluoropropane-1-sulfonamide

1,1,2,2,3,3-hexafluoropropane-1-sulfonamide (PubChem CID 162553244) has the molecular formula C3H3F6NO2S and a molecular weight of 231.12 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoropropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
PubChem CID162553244
Molecular FormulaC3H3F6NO2S
Molecular Weight231.12 g/mol
Exact Mass230.98
IUPAC Name1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C3H3F6NO2S/c4-1(5)2(6,7)3(8,9)13(10,11)12/h1H,(H2,10,11,12)
InChIKeyHWFYFFVGPCPMPF-UHFFFAOYSA-N
XLogP0.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 50.77
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-hexafluoropropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3-hexafluoropropane-1-sulfonamide (CID 162553244) is 1,1,2,2,3,3-hexafluoropropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3-hexafluoropropane-1-sulfonamide is NS(=O)(=O)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
The InChIKey is HWFYFFVGPCPMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6NO2S/c4-1(5)2(6,7)3(8,9)13(10,11)12/h1H,(H2,10,11,12).
What are the key properties of 1,1,2,2,3,3-hexafluoropropane-1-sulfonamide?
1,1,2,2,3,3-hexafluoropropane-1-sulfonamide has a molecular weight of 231.12 g/mol, XLogP of 0.77, 3 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-hexafluoropropane-1-sulfonamide is sourced from PubChem (CID 162553244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).