1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone

C12H10FNOS — CID 68675790

IUPAC1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(N)ccc2F)s1
InChIInChI=1S/C12H10FNOS/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-6H,14H2,1H3
InChIKeyVYCZBLPIRVOYSL-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.34
Rot. Bonds2

About 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone

1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone (PubChem CID 68675790) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone
PubChem CID68675790
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(N)ccc2F)s1
InChIInChI=1S/C12H10FNOS/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-6H,14H2,1H3
InChIKeyVYCZBLPIRVOYSL-UHFFFAOYSA-N
XLogP3.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
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 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone (CID 68675790) is 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cc(N)ccc2F)s1.
What is the InChIKey of 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone?
The InChIKey is VYCZBLPIRVOYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-7(15)11-4-5-12(16-11)9-6-8(14)2-3-10(9)13/h2-6H,14H2,1H3.
What are the key properties of 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone?
1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone has a molecular weight of 235.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-amino-2-fluorophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 68675790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).