2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid

C6H10F2O3S — CID 81230859

IUPAC2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)CC(F)F
InChIInChI=1S/C6H10F2O3S/c1-6(2,5(9)10)12(11)3-4(7)8/h4H,3H2,1-2H3,(H,9,10)
InChIKeyWHVBHYVZLTZAEI-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.86
Rot. Bonds4

About 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid

2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid (PubChem CID 81230859) has the molecular formula C6H10F2O3S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid
PubChem CID81230859
Molecular FormulaC6H10F2O3S
Molecular Weight200.21 g/mol
Exact Mass200.03
IUPAC Name2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)CC(F)F
InChIInChI=1S/C6H10F2O3S/c1-6(2,5(9)10)12(11)3-4(7)8/h4H,3H2,1-2H3,(H,9,10)
InChIKeyWHVBHYVZLTZAEI-UHFFFAOYSA-N
XLogP0.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-methylpentylsulfinyl)propanoic acid
CID 81227544
2-(3-fluoropropylsulfinyl)-2-methylpropanoic acid
CID 81227547
2-methyl-2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
CID 81228339
2-methyl-2-propan-2-ylsulfinylpropanoic acid
CID 81229869
2-(ethoxymethylsulfinyl)-2-methylpropanoic acid
CID 81228613
2-methyl-2-pentylsulfinylpropanoic acid
CID 81229860
2,2-difluoro-2-(2-methylpropylsulfinyl)acetic acid
CID 81218226
2-methyl-2-(3-methylsulfonylpropylsulfinyl)propanoic acid
CID 81229258
2-(3-cyano-3-methylbutyl)sulfinyl-2-methylpropanoic acid
CID 81229670
2-methyl-2-(2-propoxyethylsulfinyl)propanoic acid
CID 106455747
2-(1-amino-1-oxopropan-2-yl)sulfinyl-2-methylpropanoic acid
CID 81230491
2-methyl-2-(2-propylsulfonylethylsulfinyl)propanoic acid
CID 106728557

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid?
The IUPAC name of 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid (CID 81230859) is 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid?
The InChIKey is WHVBHYVZLTZAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O3S/c1-6(2,5(9)10)12(11)3-4(7)8/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid?
2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid has a molecular weight of 200.21 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfinyl)-2-methylpropanoic acid is sourced from PubChem (CID 81230859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).