2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid

C11H8FNO2S — CID 165457102

IUPAC2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid
SMILESNc1cc(-c2ccsc2)cc(F)c1C(=O)O
InChIInChI=1S/C11H8FNO2S/c12-8-3-7(6-1-2-16-5-6)4-9(13)10(8)11(14)15/h1-5H,13H2,(H,14,15)
InChIKeyBXSAJEJQOMVWCW-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.83
Rot. Bonds2

About 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid

2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid (PubChem CID 165457102) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid.

Molecular Properties

Compound Name2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid
PubChem CID165457102
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid
SMILESNc1cc(-c2ccsc2)cc(F)c1C(=O)O
InChIInChI=1S/C11H8FNO2S/c12-8-3-7(6-1-2-16-5-6)4-9(13)10(8)11(14)15/h1-5H,13H2,(H,14,15)
InChIKeyBXSAJEJQOMVWCW-UHFFFAOYSA-N
XLogP2.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid?
The IUPAC name of 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid (CID 165457102) is 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid.
What is the SMILES notation for 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid?
The canonical SMILES for 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid is Nc1cc(-c2ccsc2)cc(F)c1C(=O)O.
What is the InChIKey of 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid?
The InChIKey is BXSAJEJQOMVWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c12-8-3-7(6-1-2-16-5-6)4-9(13)10(8)11(14)15/h1-5H,13H2,(H,14,15).
What are the key properties of 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid?
2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid has a molecular weight of 237.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-4-thiophen-3-ylbenzoic acid is sourced from PubChem (CID 165457102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).