2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid

C12H15FO4S — CID 79438900

IUPAC2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid
SMILESCS(=O)(=O)CCCC(C(=O)O)c1ccccc1F
InChIInChI=1S/C12H15FO4S/c1-18(16,17)8-4-6-10(12(14)15)9-5-2-3-7-11(9)13/h2-3,5,7,10H,4,6,8H2,1H3,(H,14,15)
InChIKeyVMTVHQYMMUIUSS-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.82
Rot. Bonds6

About 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid

2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid (PubChem CID 79438900) has the molecular formula C12H15FO4S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid
PubChem CID79438900
Molecular FormulaC12H15FO4S
Molecular Weight274.31 g/mol
Exact Mass274.07
IUPAC Name2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid
SMILESCS(=O)(=O)CCCC(C(=O)O)c1ccccc1F
InChIInChI=1S/C12H15FO4S/c1-18(16,17)8-4-6-10(12(14)15)9-5-2-3-7-11(9)13/h2-3,5,7,10H,4,6,8H2,1H3,(H,14,15)
InChIKeyVMTVHQYMMUIUSS-UHFFFAOYSA-N
XLogP1.82
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-4-methylsulfonylbutanoic acid
CID 79438904
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
5-ethoxy-2-(2-fluorophenyl)pentanoic acid
CID 79439803
1-(1-chloro-5-methylsulfonylpentan-2-yl)-2-fluorobenzene
CID 79454995
2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid
CID 82136618
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
2-(2-fluorophenyl)butanedioic acid
CID 50990542
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
2-(2-amino-3-fluorophenyl)heptanoic acid
CID 106987341
4-methylsulfonyl-2-phenylbutanoic acid
CID 65429649

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid?
The IUPAC name of 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid (CID 79438900) is 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid?
The canonical SMILES for 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid is CS(=O)(=O)CCCC(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid?
The InChIKey is VMTVHQYMMUIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4S/c1-18(16,17)8-4-6-10(12(14)15)9-5-2-3-7-11(9)13/h2-3,5,7,10H,4,6,8H2,1H3,(H,14,15).
What are the key properties of 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid?
2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid has a molecular weight of 274.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid is sourced from PubChem (CID 79438900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).