1,1-difluoro-2-methylpropane-2-sulfinate

C4H7F2O2S- — CID 89205991

IUPAC1,1-difluoro-2-methylpropane-2-sulfinate
SMILESCC(C)(C(F)F)S(=O)[O-]
InChIInChI=1S/C4H8F2O2S/c1-4(2,3(5)6)9(7)8/h3H,1-2H3,(H,7,8)/p-1
InChIKeyPZCIYCKDDLSQLN-UHFFFAOYSA-M
MW157.16 g/mol
LogP0.91
Rot. Bonds2

About 1,1-difluoro-2-methylpropane-2-sulfinate

1,1-difluoro-2-methylpropane-2-sulfinate (PubChem CID 89205991) has the molecular formula C4H7F2O2S- and a molecular weight of 157.16 g/mol. Its IUPAC name is 1,1-difluoro-2-methylpropane-2-sulfinate.

Molecular Properties

Compound Name1,1-difluoro-2-methylpropane-2-sulfinate
PubChem CID89205991
Molecular FormulaC4H7F2O2S-
Molecular Weight157.16 g/mol
Exact Mass157.01
IUPAC Name1,1-difluoro-2-methylpropane-2-sulfinate
SMILESCC(C)(C(F)F)S(=O)[O-]
InChIInChI=1S/C4H8F2O2S/c1-4(2,3(5)6)9(7)8/h3H,1-2H3,(H,7,8)/p-1
InChIKeyPZCIYCKDDLSQLN-UHFFFAOYSA-M
XLogP0.91
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 50.91
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

Trifluoromethyl 2-methylpropane-2-sulfonate
CID 14681965
1,1,2,2-Tetrafluorobutane-1-sulfonate
CID 20734473
Fluoro 1,1-difluoropropane-1-sulfonate
CID 57017022
1,1-Difluoropropane-1-sulfinate
CID 57055331
1,1,1-Trifluoro-2-methylpropane-2-sulfinate
CID 57433353
1,1,2-Trifluorobutane-1-sulfonate
CID 58422510
1,1,3,3-Tetrafluorobutane-1-sulfonate
CID 58445589
1,1-Difluoropropane-1-sulfonate
CID 58491386
1,1,1-Trifluoro-2-methylpropane-2-sulfonic acid
CID 87127927
1,1,2-Trifluoro-2-methylpropane-1-sulfinic acid
CID 87602218
1,1,2-Trifluoro-2-methylpropane-1-sulfonic acid
CID 87672027
Potassium 1,1,2-trifluorobutane-1-sulfonate
CID 87673445

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylpropane-2-sulfinate?
The IUPAC name of 1,1-difluoro-2-methylpropane-2-sulfinate (CID 89205991) is 1,1-difluoro-2-methylpropane-2-sulfinate.
What is the SMILES notation for 1,1-difluoro-2-methylpropane-2-sulfinate?
The canonical SMILES for 1,1-difluoro-2-methylpropane-2-sulfinate is CC(C)(C(F)F)S(=O)[O-].
What is the InChIKey of 1,1-difluoro-2-methylpropane-2-sulfinate?
The InChIKey is PZCIYCKDDLSQLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8F2O2S/c1-4(2,3(5)6)9(7)8/h3H,1-2H3,(H,7,8)/p-1.
What are the key properties of 1,1-difluoro-2-methylpropane-2-sulfinate?
1,1-difluoro-2-methylpropane-2-sulfinate has a molecular weight of 157.16 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylpropane-2-sulfinate is sourced from PubChem (CID 89205991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).