2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane

C6H10F5O2S- — CID 89437375

IUPAC2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane
SMILESCC(C)(C)S(=O)[O-].FC(F)C(F)(F)F
InChIInChI=1S/C4H10O2S.C2HF5/c1-4(2,3)7(5)6;3-1(4)2(5,6)7/h1-3H3,(H,5,6);1H/p-1
InChIKeyQGIUVBSFZXHLNH-UHFFFAOYSA-M
MW241.20 g/mol
LogP2.48
Rot. Bonds

About 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane

2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane (PubChem CID 89437375) has the molecular formula C6H10F5O2S- and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane.

Molecular Properties

Compound Name2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane
PubChem CID89437375
Molecular FormulaC6H10F5O2S-
Molecular Weight241.20 g/mol
Exact Mass241.03
IUPAC Name2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane
SMILESCC(C)(C)S(=O)[O-].FC(F)C(F)(F)F
InChIInChI=1S/C4H10O2S.C2HF5/c1-4(2,3)7(5)6;3-1(4)2(5,6)7/h1-3H3,(H,5,6);1H/p-1
InChIKeyQGIUVBSFZXHLNH-UHFFFAOYSA-M
XLogP2.48
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane?
The IUPAC name of 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane (CID 89437375) is 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane.
What is the SMILES notation for 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane?
The canonical SMILES for 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane is CC(C)(C)S(=O)[O-].FC(F)C(F)(F)F.
What is the InChIKey of 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane?
The InChIKey is QGIUVBSFZXHLNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O2S.C2HF5/c1-4(2,3)7(5)6;3-1(4)2(5,6)7/h1-3H3,(H,5,6);1H/p-1.
What are the key properties of 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane?
2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane has a molecular weight of 241.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane is sourced from PubChem (CID 89437375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).