2-thiophen-2-ylacetyl fluoride

C6H5FOS — CID 164667815

IUPAC2-thiophen-2-ylacetyl fluoride
SMILESO=C(F)Cc1cccs1
InChIInChI=1S/C6H5FOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2
InChIKeyIBJJGLQFVMXLPU-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.79
Rot. Bonds2

About 2-thiophen-2-ylacetyl fluoride

2-thiophen-2-ylacetyl fluoride (PubChem CID 164667815) has the molecular formula C6H5FOS and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-thiophen-2-ylacetyl fluoride.

Molecular Properties

Compound Name2-thiophen-2-ylacetyl fluoride
PubChem CID164667815
Molecular FormulaC6H5FOS
Molecular Weight144.17 g/mol
Exact Mass144.00
IUPAC Name2-thiophen-2-ylacetyl fluoride
SMILESO=C(F)Cc1cccs1
InChIInChI=1S/C6H5FOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2
InChIKeyIBJJGLQFVMXLPU-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylacetyl fluoride?
The IUPAC name of 2-thiophen-2-ylacetyl fluoride (CID 164667815) is 2-thiophen-2-ylacetyl fluoride.
What is the SMILES notation for 2-thiophen-2-ylacetyl fluoride?
The canonical SMILES for 2-thiophen-2-ylacetyl fluoride is O=C(F)Cc1cccs1.
What is the InChIKey of 2-thiophen-2-ylacetyl fluoride?
The InChIKey is IBJJGLQFVMXLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2.
What are the key properties of 2-thiophen-2-ylacetyl fluoride?
2-thiophen-2-ylacetyl fluoride has a molecular weight of 144.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylacetyl fluoride is sourced from PubChem (CID 164667815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).