1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid

C5H10F2O3S — CID 87154751

IUPAC1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid
SMILESCC(C)(C)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C5H10F2O3S/c1-4(2,3)5(6,7)11(8,9)10/h1-3H3,(H,8,9,10)
InChIKeyYRNFCTAECLNWRJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.51
Rot. Bonds1

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

1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid (PubChem CID 87154751) has the molecular formula C5H10F2O3S and a molecular weight of 188.19 g/mol. Its IUPAC name is 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid.

Molecular Properties

Compound Name1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid
PubChem CID87154751
Molecular FormulaC5H10F2O3S
Molecular Weight188.19 g/mol
Exact Mass188.03
IUPAC Name1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid
SMILESCC(C)(C)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C5H10F2O3S/c1-4(2,3)5(6,7)11(8,9)10/h1-3H3,(H,8,9,10)
InChIKeyYRNFCTAECLNWRJ-UHFFFAOYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.51
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-Difluoropropane-1-sulfonic acid
CID 21946927
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-Difluorobutane-1-sulfonic acid
CID 21946970
1,1,2-Trifluorohexane-1-sulfonic acid
CID 21964757
1,1,2-Trifluoropentane-1-sulfonic acid
CID 21964935
1,1,2-Trifluoropropane-1-sulfonic acid
CID 21964998
Sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid
CID 22182351
1,1,2,2,3,3-Hexafluorobutane-1-sulfonic acid
CID 22227483

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid?
The IUPAC name of 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid (CID 87154751) is 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid.
What is the SMILES notation for 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid?
The canonical SMILES for 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid is CC(C)(C)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid?
The InChIKey is YRNFCTAECLNWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O3S/c1-4(2,3)5(6,7)11(8,9)10/h1-3H3,(H,8,9,10).
What are the key properties of 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid?
1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid has a molecular weight of 188.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,2-dimethylpropane-1-sulfonic acid is sourced from PubChem (CID 87154751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).