2-(3-fluoropropylsulfinyl)propanoic acid

C6H11FO3S — CID 81114263

IUPAC2-(3-fluoropropylsulfinyl)propanoic acid
SMILESCC(C(=O)O)S(=O)CCCF
InChIInChI=1S/C6H11FO3S/c1-5(6(8)9)11(10)4-2-3-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyIXXGXPSQDKGSCB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.57
Rot. Bonds5

About 2-(3-fluoropropylsulfinyl)propanoic acid

2-(3-fluoropropylsulfinyl)propanoic acid (PubChem CID 81114263) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfinyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoropropylsulfinyl)propanoic acid
PubChem CID81114263
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name2-(3-fluoropropylsulfinyl)propanoic acid
SMILESCC(C(=O)O)S(=O)CCCF
InChIInChI=1S/C6H11FO3S/c1-5(6(8)9)11(10)4-2-3-7/h5H,2-4H2,1H3,(H,8,9)
InChIKeyIXXGXPSQDKGSCB-UHFFFAOYSA-N
XLogP0.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylsulfinyl)propanoic acid?
The IUPAC name of 2-(3-fluoropropylsulfinyl)propanoic acid (CID 81114263) is 2-(3-fluoropropylsulfinyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoropropylsulfinyl)propanoic acid?
The canonical SMILES for 2-(3-fluoropropylsulfinyl)propanoic acid is CC(C(=O)O)S(=O)CCCF.
What is the InChIKey of 2-(3-fluoropropylsulfinyl)propanoic acid?
The InChIKey is IXXGXPSQDKGSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c1-5(6(8)9)11(10)4-2-3-7/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(3-fluoropropylsulfinyl)propanoic acid?
2-(3-fluoropropylsulfinyl)propanoic acid has a molecular weight of 182.22 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfinyl)propanoic acid is sourced from PubChem (CID 81114263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).