1-fluoro-2-methylpropane-2-sulfinate

C4H8FO2S- — CID 89437333

IUPAC1-fluoro-2-methylpropane-2-sulfinate
SMILESCC(C)(CF)S(=O)[O-]
InChIInChI=1S/C4H9FO2S/c1-4(2,3-5)8(6)7/h3H2,1-2H3,(H,6,7)/p-1
InChIKeyGPSSQHPNZGDYHH-UHFFFAOYSA-M
MW139.17 g/mol
LogP0.61
Rot. Bonds2

About 1-fluoro-2-methylpropane-2-sulfinate

1-fluoro-2-methylpropane-2-sulfinate (PubChem CID 89437333) has the molecular formula C4H8FO2S- and a molecular weight of 139.17 g/mol. Its IUPAC name is 1-fluoro-2-methylpropane-2-sulfinate.

Molecular Properties

Compound Name1-fluoro-2-methylpropane-2-sulfinate
PubChem CID89437333
Molecular FormulaC4H8FO2S-
Molecular Weight139.17 g/mol
Exact Mass139.02
IUPAC Name1-fluoro-2-methylpropane-2-sulfinate
SMILESCC(C)(CF)S(=O)[O-]
InChIInChI=1S/C4H9FO2S/c1-4(2,3-5)8(6)7/h3H2,1-2H3,(H,6,7)/p-1
InChIKeyGPSSQHPNZGDYHH-UHFFFAOYSA-M
XLogP0.61
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sodium 2-methylpropane-2-sulfinate
CID 23685749
2-Methylpropane-2-sulfinate
CID 6411723
Lithium t-butylsulfinate
CID 23669362
2-Fluoropropane-2-sulfinate
CID 18002323
1-Fluorobutane-1-sulfinate
CID 21652941
3-Fluorobutane-1-sulfinate
CID 57073270
2-Fluorobutane-1-sulfinate
CID 57191289
1,1,1-Trifluoro-2-methylpropane-2-sulfinate
CID 57433353
1,1-Difluoro-2-methylpropane-2-sulfinate
CID 89205991
2-Methylpropane-2-sulfinate;1,1,1,2,2-pentafluoroethane
CID 89437375
3,4,4-Trifluoro-2-methylbutane-2-sulfinate
CID 89437406
2-Methylpropane-2-sulfonyl fluoride
CID 118654439

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylpropane-2-sulfinate?
The IUPAC name of 1-fluoro-2-methylpropane-2-sulfinate (CID 89437333) is 1-fluoro-2-methylpropane-2-sulfinate.
What is the SMILES notation for 1-fluoro-2-methylpropane-2-sulfinate?
The canonical SMILES for 1-fluoro-2-methylpropane-2-sulfinate is CC(C)(CF)S(=O)[O-].
What is the InChIKey of 1-fluoro-2-methylpropane-2-sulfinate?
The InChIKey is GPSSQHPNZGDYHH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9FO2S/c1-4(2,3-5)8(6)7/h3H2,1-2H3,(H,6,7)/p-1.
What are the key properties of 1-fluoro-2-methylpropane-2-sulfinate?
1-fluoro-2-methylpropane-2-sulfinate has a molecular weight of 139.17 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylpropane-2-sulfinate is sourced from PubChem (CID 89437333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).