Sodium 1,1-difluoroethane-1-sulfinate

C₂H₃F₂NaO₂S — CID 117065045

About Sodium 1,1-difluoroethane-1-sulfinate

Sodium 1,1-difluoroethane-1-sulfinate (PubChem CID 117065045) has the molecular formula C₂H₃F₂NaO₂S and a molecular weight of 152.10 g/mol. Its IUPAC name is sodium 1,1-difluoroethanesulfinate.

Molecular Properties

• Compound Name: Sodium 1,1-difluoroethane-1-sulfinate
• PubChem CID: 117065045
• Molecular Formula: C₂H₃F₂NaO₂S
• Molecular Weight: 152.10 g/mol
• Exact Mass: 151.97
• IUPAC Name: sodium 1,1-difluoroethanesulfinate
• SMILES: CC(F)(F)S(=O)[O-].[Na+]
• InChI: InChI=1S/C2H4F2O2S.Na/c1-2(3,4)7(5)6;/h1H3,(H,5,6);/q;+1/p-1
• InChIKey: YAUVUSSCQUHHFC-UHFFFAOYSA-M
• XLogP: -2.52
• TPSA: 40.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.10
LogP ≤ 5	-2.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sodium 1,1-difluoroethane-1-sulfinate?

The IUPAC name of Sodium 1,1-difluoroethane-1-sulfinate (CID 117065045) is sodium 1,1-difluoroethanesulfinate.

What is the SMILES notation for Sodium 1,1-difluoroethane-1-sulfinate?

The canonical SMILES for Sodium 1,1-difluoroethane-1-sulfinate is CC(F)(F)S(=O)[O-].[Na+].

What is the InChIKey of Sodium 1,1-difluoroethane-1-sulfinate?

The InChIKey is YAUVUSSCQUHHFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F2O2S.Na/c1-2(3,4)7(5)6;/h1H3,(H,5,6);/q;+1/p-1.

What are the key properties of Sodium 1,1-difluoroethane-1-sulfinate?

Sodium 1,1-difluoroethane-1-sulfinate has a molecular weight of 152.10 g/mol, XLogP of -2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium 1,1-difluoroethane-1-sulfinate is sourced from PubChem (CID 117065045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117065045 — identifiers, structure, computed properties (public domain)

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