1,1-difluoro-2-methylpropane-2-sulfonic acid

C4H8F2O3S — CID 89144616

IUPAC1,1-difluoro-2-methylpropane-2-sulfonic acid
SMILESCC(C)(C(F)F)S(=O)(=O)O
InChIInChI=1S/C4H8F2O3S/c1-4(2,3(5)6)10(7,8)9/h3H,1-2H3,(H,7,8,9)
InChIKeyDRBPLPOWBAUJII-UHFFFAOYSA-N
MW174.17 g/mol
LogP0.92
Rot. Bonds2

About 1,1-difluoro-2-methylpropane-2-sulfonic acid

1,1-difluoro-2-methylpropane-2-sulfonic acid (PubChem CID 89144616) has the molecular formula C4H8F2O3S and a molecular weight of 174.17 g/mol. Its IUPAC name is 1,1-difluoro-2-methylpropane-2-sulfonic acid.

Molecular Properties

Compound Name1,1-difluoro-2-methylpropane-2-sulfonic acid
PubChem CID89144616
Molecular FormulaC4H8F2O3S
Molecular Weight174.17 g/mol
Exact Mass174.02
IUPAC Name1,1-difluoro-2-methylpropane-2-sulfonic acid
SMILESCC(C)(C(F)F)S(=O)(=O)O
InChIInChI=1S/C4H8F2O3S/c1-4(2,3(5)6)10(7,8)9/h3H,1-2H3,(H,7,8,9)
InChIKeyDRBPLPOWBAUJII-UHFFFAOYSA-N
XLogP0.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Trifluoromethyl 2-methylpropane-2-sulfonate
CID 14681965
1,1,2-Trifluorobutane-1-sulfonic acid
CID 17817337
1,1,2,2-Tetrafluorobutane-1-sulfonic acid
CID 20734474
1,1,1-Trifluoropentane-2-sulfonic acid
CID 21946920
1,1-Difluoropropane-1-sulfonic acid
CID 21946927
1,1,2,2-Tetrafluoropropane-1-sulfonic acid
CID 21946946
1,1,1-Trifluoro-2-(trifluoromethyl)butane-2-sulfonic acid
CID 21946948
1,1,1,3,3,3-Hexafluoro-2-methylpropane-2-sulfonic acid
CID 21946958
1,1,1-Trifluorobutane-2-sulfonic acid
CID 21946963
1,1,1-Trifluoro-2-(trifluoromethyl)pentane-2-sulfonic acid
CID 21946967
1,1-Difluorobutane-1-sulfonic acid
CID 21946970
1,1,2-Trifluoroheptane-1-sulfonic acid
CID 21964724

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylpropane-2-sulfonic acid?
The IUPAC name of 1,1-difluoro-2-methylpropane-2-sulfonic acid (CID 89144616) is 1,1-difluoro-2-methylpropane-2-sulfonic acid.
What is the SMILES notation for 1,1-difluoro-2-methylpropane-2-sulfonic acid?
The canonical SMILES for 1,1-difluoro-2-methylpropane-2-sulfonic acid is CC(C)(C(F)F)S(=O)(=O)O.
What is the InChIKey of 1,1-difluoro-2-methylpropane-2-sulfonic acid?
The InChIKey is DRBPLPOWBAUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O3S/c1-4(2,3(5)6)10(7,8)9/h3H,1-2H3,(H,7,8,9).
What are the key properties of 1,1-difluoro-2-methylpropane-2-sulfonic acid?
1,1-difluoro-2-methylpropane-2-sulfonic acid has a molecular weight of 174.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylpropane-2-sulfonic acid is sourced from PubChem (CID 89144616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).