2-(difluoromethylsulfonyl)propanoic acid

C4H6F2O4S — CID 43625006

IUPAC2-(difluoromethylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C4H6F2O4S/c1-2(3(7)8)11(9,10)4(5)6/h2,4H,1H3,(H,7,8)
InChIKeyVSODGGNHFRYSNX-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.10
Rot. Bonds3

About 2-(difluoromethylsulfonyl)propanoic acid

2-(difluoromethylsulfonyl)propanoic acid (PubChem CID 43625006) has the molecular formula C4H6F2O4S and a molecular weight of 188.15 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)propanoic acid.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)propanoic acid
PubChem CID43625006
Molecular FormulaC4H6F2O4S
Molecular Weight188.15 g/mol
Exact Mass188.00
IUPAC Name2-(difluoromethylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)C(F)F
InChIInChI=1S/C4H6F2O4S/c1-2(3(7)8)11(9,10)4(5)6/h2,4H,1H3,(H,7,8)
InChIKeyVSODGGNHFRYSNX-UHFFFAOYSA-N
XLogP0.10
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methylsulfonyl)propanoic acid
CID 120308
2-(Propane-2-sulfonyl)propanoic acid
CID 24692632
2-(Methylsulfonyl)propanoic acid
CID 19085957
2-(2,2,2-Trifluoroethanesulfonyl)acetic acid
CID 20574043
3-Trifluoromethanesulfonylpropanoic acid
CID 22376723
2-(3,3,3-Trifluoropropanesulfonyl)acetic acid
CID 57425798
FT-sulfone; C6H9F3O4S
CID 64555244
2-(2,2-Difluoroethanesulfonyl)acetic acid
CID 60921768
1,1-Dioxo-3-(trifluoromethyl)-1lambda6-thietane-3-carboxylic acid
CID 105471915
4-Trifluoromethanesulfonylbutanoic acid
CID 165996881
2:2 Fluorotelomersulfonyl propanoic acid
CID 163324026
2,2,3,3-Tetrafluoro-3-methylsulfonylpropanoic acid
CID 13581308

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)propanoic acid?
The IUPAC name of 2-(difluoromethylsulfonyl)propanoic acid (CID 43625006) is 2-(difluoromethylsulfonyl)propanoic acid.
What is the SMILES notation for 2-(difluoromethylsulfonyl)propanoic acid?
The canonical SMILES for 2-(difluoromethylsulfonyl)propanoic acid is CC(C(=O)O)S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)propanoic acid?
The InChIKey is VSODGGNHFRYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O4S/c1-2(3(7)8)11(9,10)4(5)6/h2,4H,1H3,(H,7,8).
What are the key properties of 2-(difluoromethylsulfonyl)propanoic acid?
2-(difluoromethylsulfonyl)propanoic acid has a molecular weight of 188.15 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)propanoic acid is sourced from PubChem (CID 43625006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).