2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid

C17H17FO2S — CID 21496254

IUPAC2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid
SMILESCC(C)(SCC(=O)O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H17FO2S/c1-17(2,21-11-16(19)20)13-9-7-12(8-10-13)14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyWZHRRAPYBWXLTK-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.55
Rot. Bonds5

About 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid

2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid (PubChem CID 21496254) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid
PubChem CID21496254
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid
SMILESCC(C)(SCC(=O)O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H17FO2S/c1-17(2,21-11-16(19)20)13-9-7-12(8-10-13)14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyWZHRRAPYBWXLTK-UHFFFAOYSA-N
XLogP4.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid?
The IUPAC name of 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid (CID 21496254) is 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid is CC(C)(SCC(=O)O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid?
The InChIKey is WZHRRAPYBWXLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-17(2,21-11-16(19)20)13-9-7-12(8-10-13)14-5-3-4-6-15(14)18/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid?
2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid has a molecular weight of 304.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenyl)phenyl]propan-2-ylsulfanyl]acetic acid is sourced from PubChem (CID 21496254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).