5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid

C12H8BrFO2S — CID 78973993

IUPAC5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1cc(Br)ccc1F
InChIInChI=1S/C12H8BrFO2S/c1-6-4-10(12(15)16)17-11(6)8-5-7(13)2-3-9(8)14/h2-5H,1H3,(H,15,16)
InChIKeyCPHCEKYLWXGSFV-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.32
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid

5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 78973993) has the molecular formula C12H8BrFO2S and a molecular weight of 315.16 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
PubChem CID78973993
Molecular FormulaC12H8BrFO2S
Molecular Weight315.16 g/mol
Exact Mass313.94
IUPAC Name5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1cc(Br)ccc1F
InChIInChI=1S/C12H8BrFO2S/c1-6-4-10(12(15)16)17-11(6)8-5-7(13)2-3-9(8)14/h2-5H,1H3,(H,15,16)
InChIKeyCPHCEKYLWXGSFV-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid (CID 78973993) is 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1-c1cc(Br)ccc1F.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is CPHCEKYLWXGSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO2S/c1-6-4-10(12(15)16)17-11(6)8-5-7(13)2-3-9(8)14/h2-5H,1H3,(H,15,16).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid?
5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 315.16 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 78973993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).