2-(3-fluoropropylsulfonyl)propanoic acid

C6H11FO4S — CID 81105442

IUPAC2-(3-fluoropropylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C6H11FO4S/c1-5(6(8)9)12(10,11)4-2-3-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyMHKIRFCNDRKFCV-UHFFFAOYSA-N
MW198.21 g/mol
LogP0.23
Rot. Bonds5

About 2-(3-fluoropropylsulfonyl)propanoic acid

2-(3-fluoropropylsulfonyl)propanoic acid (PubChem CID 81105442) has the molecular formula C6H11FO4S and a molecular weight of 198.21 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfonyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoropropylsulfonyl)propanoic acid
PubChem CID81105442
Molecular FormulaC6H11FO4S
Molecular Weight198.21 g/mol
Exact Mass198.04
IUPAC Name2-(3-fluoropropylsulfonyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)CCCF
InChIInChI=1S/C6H11FO4S/c1-5(6(8)9)12(10,11)4-2-3-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyMHKIRFCNDRKFCV-UHFFFAOYSA-N
XLogP0.23
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfonyl)propanoic acid?
The IUPAC name of 2-(3-fluoropropylsulfonyl)propanoic acid (CID 81105442) is 2-(3-fluoropropylsulfonyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoropropylsulfonyl)propanoic acid?
The canonical SMILES for 2-(3-fluoropropylsulfonyl)propanoic acid is CC(C(=O)O)S(=O)(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfonyl)propanoic acid?
The InChIKey is MHKIRFCNDRKFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO4S/c1-5(6(8)9)12(10,11)4-2-3-7/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(3-fluoropropylsulfonyl)propanoic acid?
2-(3-fluoropropylsulfonyl)propanoic acid has a molecular weight of 198.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfonyl)propanoic acid is sourced from PubChem (CID 81105442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).