3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid

C17H10F2O2S — CID 16664390

IUPAC3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1scc(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H10F2O2S/c18-12-5-1-10(2-6-12)14-9-22-16(17(20)21)15(14)11-3-7-13(19)8-4-11/h1-9H,(H,20,21)
InChIKeyHTZWJSFGFXZFRG-UHFFFAOYSA-N
MW316.33 g/mol
LogP5.06
Rot. Bonds3

About 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid

3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid (PubChem CID 16664390) has the molecular formula C17H10F2O2S and a molecular weight of 316.33 g/mol. Its IUPAC name is 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid
PubChem CID16664390
Molecular FormulaC17H10F2O2S
Molecular Weight316.33 g/mol
Exact Mass316.04
IUPAC Name3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1scc(-c2ccc(F)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H10F2O2S/c18-12-5-1-10(2-6-12)14-9-22-16(17(20)21)15(14)11-3-7-13(19)8-4-11/h1-9H,(H,20,21)
InChIKeyHTZWJSFGFXZFRG-UHFFFAOYSA-N
XLogP5.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid (CID 16664390) is 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid is O=C(O)c1scc(-c2ccc(F)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid?
The InChIKey is HTZWJSFGFXZFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2O2S/c18-12-5-1-10(2-6-12)14-9-22-16(17(20)21)15(14)11-3-7-13(19)8-4-11/h1-9H,(H,20,21).
What are the key properties of 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid?
3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid has a molecular weight of 316.33 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-fluorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 16664390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).