3-(2,2-difluoropropylsulfonyl)propanoic acid

C6H10F2O4S — CID 84681633

IUPAC3-(2,2-difluoropropylsulfonyl)propanoic acid
SMILESCC(F)(F)CS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H10F2O4S/c1-6(7,8)4-13(11,12)3-2-5(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyDDHGDAQZTTVSEE-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.53
Rot. Bonds5

About 3-(2,2-difluoropropylsulfonyl)propanoic acid

3-(2,2-difluoropropylsulfonyl)propanoic acid (PubChem CID 84681633) has the molecular formula C6H10F2O4S and a molecular weight of 216.20 g/mol. Its IUPAC name is 3-(2,2-difluoropropylsulfonyl)propanoic acid.

Molecular Properties

Compound Name3-(2,2-difluoropropylsulfonyl)propanoic acid
PubChem CID84681633
Molecular FormulaC6H10F2O4S
Molecular Weight216.20 g/mol
Exact Mass216.03
IUPAC Name3-(2,2-difluoropropylsulfonyl)propanoic acid
SMILESCC(F)(F)CS(=O)(=O)CCC(=O)O
InChIInChI=1S/C6H10F2O4S/c1-6(7,8)4-13(11,12)3-2-5(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyDDHGDAQZTTVSEE-UHFFFAOYSA-N
XLogP0.53
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-difluoropropylsulfonyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylbutylsulfonyl)propanoic acid
CID 62105864
2-(2-carboxyethylsulfonyl)-2-methylpropanoic acid
CID 82180555
3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid
CID 60961463
5,5-difluorohexanoic acid
CID 53418167
5-(2-carboxyethylsulfonyl)pentanoic acid
CID 117098076
3-(3-methylsulfonylpropylsulfonyl)propanoic acid
CID 63191877
3-hexacosylsulfonylpropanoic acid
CID 174440164
2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonyl)propanoic acid
CID 87112801
3-dodecylsulfonylpropanoic acid;hydrochloride
CID 88774456
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
pentanoic acid;trifluoromethanesulfonic acid
CID 158887018
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropylsulfonyl)propanoic acid?
The IUPAC name of 3-(2,2-difluoropropylsulfonyl)propanoic acid (CID 84681633) is 3-(2,2-difluoropropylsulfonyl)propanoic acid.
What is the SMILES notation for 3-(2,2-difluoropropylsulfonyl)propanoic acid?
The canonical SMILES for 3-(2,2-difluoropropylsulfonyl)propanoic acid is CC(F)(F)CS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-(2,2-difluoropropylsulfonyl)propanoic acid?
The InChIKey is DDHGDAQZTTVSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O4S/c1-6(7,8)4-13(11,12)3-2-5(9)10/h2-4H2,1H3,(H,9,10).
What are the key properties of 3-(2,2-difluoropropylsulfonyl)propanoic acid?
3-(2,2-difluoropropylsulfonyl)propanoic acid has a molecular weight of 216.20 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropylsulfonyl)propanoic acid is sourced from PubChem (CID 84681633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).