5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid

C11H13FO4S — CID 22389753

IUPAC5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO4S/c12-8-1-3-10(4-2-8)17(16)6-5-9(13)7-11(14)15/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyDLNDXGJONXAEEA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.16
Rot. Bonds6

About 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid

5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid (PubChem CID 22389753) has the molecular formula C11H13FO4S and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid
PubChem CID22389753
Molecular FormulaC11H13FO4S
Molecular Weight260.29 g/mol
Exact Mass260.05
IUPAC Name5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO4S/c12-8-1-3-10(4-2-8)17(16)6-5-9(13)7-11(14)15/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyDLNDXGJONXAEEA-UHFFFAOYSA-N
XLogP1.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid?
The IUPAC name of 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid (CID 22389753) is 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid?
The canonical SMILES for 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid is O=C(O)CC(O)CCS(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid?
The InChIKey is DLNDXGJONXAEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4S/c12-8-1-3-10(4-2-8)17(16)6-5-9(13)7-11(14)15/h1-4,9,13H,5-7H2,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid?
5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfinyl-3-hydroxypentanoic acid is sourced from PubChem (CID 22389753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).