4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid

C12H8F2O3S — CID 82093065

IUPAC4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1ccc(OC(F)F)c(-c2cccs2)c1
InChIInChI=1S/C12H8F2O3S/c13-12(14)17-9-4-3-7(11(15)16)6-8(9)10-2-1-5-18-10/h1-6,12H,(H,15,16)
InChIKeyZAPCIZIRJXHLLO-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.71
Rot. Bonds4

About 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid

4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid (PubChem CID 82093065) has the molecular formula C12H8F2O3S and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid
PubChem CID82093065
Molecular FormulaC12H8F2O3S
Molecular Weight270.26 g/mol
Exact Mass270.02
IUPAC Name4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1ccc(OC(F)F)c(-c2cccs2)c1
InChIInChI=1S/C12H8F2O3S/c13-12(14)17-9-4-3-7(11(15)16)6-8(9)10-2-1-5-18-10/h1-6,12H,(H,15,16)
InChIKeyZAPCIZIRJXHLLO-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid?
The IUPAC name of 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid (CID 82093065) is 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid?
The canonical SMILES for 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid is O=C(O)c1ccc(OC(F)F)c(-c2cccs2)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid?
The InChIKey is ZAPCIZIRJXHLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O3S/c13-12(14)17-9-4-3-7(11(15)16)6-8(9)10-2-1-5-18-10/h1-6,12H,(H,15,16).
What are the key properties of 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid?
4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid has a molecular weight of 270.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 82093065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).