2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid

C15H13FO2S — CID 141099737

IUPAC2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1Sc1cccc(F)c1
InChIInChI=1S/C15H13FO2S/c1-10(15(17)18)13-7-2-3-8-14(13)19-12-6-4-5-11(16)9-12/h2-10H,1H3,(H,17,18)
InChIKeyGDTVZDUCTSJZBO-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.16
Rot. Bonds4

About 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid

2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid (PubChem CID 141099737) has the molecular formula C15H13FO2S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid
PubChem CID141099737
Molecular FormulaC15H13FO2S
Molecular Weight276.33 g/mol
Exact Mass276.06
IUPAC Name2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1Sc1cccc(F)c1
InChIInChI=1S/C15H13FO2S/c1-10(15(17)18)13-7-2-3-8-14(13)19-12-6-4-5-11(16)9-12/h2-10H,1H3,(H,17,18)
InChIKeyGDTVZDUCTSJZBO-UHFFFAOYSA-N
XLogP4.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid (CID 141099737) is 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid is CC(C(=O)O)c1ccccc1Sc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid?
The InChIKey is GDTVZDUCTSJZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2S/c1-10(15(17)18)13-7-2-3-8-14(13)19-12-6-4-5-11(16)9-12/h2-10H,1H3,(H,17,18).
What are the key properties of 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid?
2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid has a molecular weight of 276.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)sulfanylphenyl]propanoic acid is sourced from PubChem (CID 141099737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).