5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid

C13H11FO2S — CID 78917575

IUPAC5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(-c2sc(C(=O)O)cc2C)ccc1F
InChIInChI=1S/C13H11FO2S/c1-7-5-9(3-4-10(7)14)12-8(2)6-11(17-12)13(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyFVAVIWDTVVGLCH-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.87
Rot. Bonds2

About 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid

5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 78917575) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid
PubChem CID78917575
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(-c2sc(C(=O)O)cc2C)ccc1F
InChIInChI=1S/C13H11FO2S/c1-7-5-9(3-4-10(7)14)12-8(2)6-11(17-12)13(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyFVAVIWDTVVGLCH-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78973945
5-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 78943773
5-(3-fluoro-5-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 79989747
5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 78973993
5-(1,3-dihydro-2-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79996984
5-(4-methoxy-3,5-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83068189
5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79997151
4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 78973991
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
methyl 5-[4-(2-fluorophenyl)phenyl]-4-methylthiophene-2-carboxylate
CID 2741197
3-amino-5-(3,4-difluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83034938
4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid
CID 23372750

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid (CID 78917575) is 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid is Cc1cc(-c2sc(C(=O)O)cc2C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is FVAVIWDTVVGLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c1-7-5-9(3-4-10(7)14)12-8(2)6-11(17-12)13(15)16/h3-6H,1-2H3,(H,15,16).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid?
5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 78917575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).