2-fluoropropane-2-sulfinate

C3H6FO2S- — CID 18002323

IUPAC2-fluoropropane-2-sulfinate
SMILESCC(C)(F)S(=O)[O-]
InChIInChI=1S/C3H7FO2S/c1-3(2,4)7(5)6/h1-2H3,(H,5,6)/p-1
InChIKeyGEYGMRDEXNYNLA-UHFFFAOYSA-M
MW125.14 g/mol
LogP0.57
Rot. Bonds1

About 2-fluoropropane-2-sulfinate

2-fluoropropane-2-sulfinate (PubChem CID 18002323) has the molecular formula C3H6FO2S- and a molecular weight of 125.14 g/mol. Its IUPAC name is 2-fluoropropane-2-sulfinate.

Molecular Properties

Compound Name2-fluoropropane-2-sulfinate
PubChem CID18002323
Molecular FormulaC3H6FO2S-
Molecular Weight125.14 g/mol
Exact Mass125.01
IUPAC Name2-fluoropropane-2-sulfinate
SMILESCC(C)(F)S(=O)[O-]
InChIInChI=1S/C3H7FO2S/c1-3(2,4)7(5)6/h1-2H3,(H,5,6)/p-1
InChIKeyGEYGMRDEXNYNLA-UHFFFAOYSA-M
XLogP0.57
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.14
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropropane-2-sulfinate?
The IUPAC name of 2-fluoropropane-2-sulfinate (CID 18002323) is 2-fluoropropane-2-sulfinate.
What is the SMILES notation for 2-fluoropropane-2-sulfinate?
The canonical SMILES for 2-fluoropropane-2-sulfinate is CC(C)(F)S(=O)[O-].
What is the InChIKey of 2-fluoropropane-2-sulfinate?
The InChIKey is GEYGMRDEXNYNLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7FO2S/c1-3(2,4)7(5)6/h1-2H3,(H,5,6)/p-1.
What are the key properties of 2-fluoropropane-2-sulfinate?
2-fluoropropane-2-sulfinate has a molecular weight of 125.14 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropane-2-sulfinate is sourced from PubChem (CID 18002323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).