(2-fluorophenyl) 2-thiophen-2-ylacetate

C12H9FO2S — CID 91700999

IUPAC(2-fluorophenyl) 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)Oc1ccccc1F
InChIInChI=1S/C12H9FO2S/c13-10-5-1-2-6-11(10)15-12(14)8-9-4-3-7-16-9/h1-7H,8H2
InChIKeyLYFGABKAHFQMOK-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.04
Rot. Bonds3

About (2-fluorophenyl) 2-thiophen-2-ylacetate

(2-fluorophenyl) 2-thiophen-2-ylacetate (PubChem CID 91700999) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is (2-fluorophenyl) 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-thiophen-2-ylacetate
PubChem CID91700999
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name(2-fluorophenyl) 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)Oc1ccccc1F
InChIInChI=1S/C12H9FO2S/c13-10-5-1-2-6-11(10)15-12(14)8-9-4-3-7-16-9/h1-7H,8H2
InChIKeyLYFGABKAHFQMOK-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-thiophen-2-ylacetate?
The IUPAC name of (2-fluorophenyl) 2-thiophen-2-ylacetate (CID 91700999) is (2-fluorophenyl) 2-thiophen-2-ylacetate.
What is the SMILES notation for (2-fluorophenyl) 2-thiophen-2-ylacetate?
The canonical SMILES for (2-fluorophenyl) 2-thiophen-2-ylacetate is O=C(Cc1cccs1)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-thiophen-2-ylacetate?
The InChIKey is LYFGABKAHFQMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c13-10-5-1-2-6-11(10)15-12(14)8-9-4-3-7-16-9/h1-7H,8H2.
What are the key properties of (2-fluorophenyl) 2-thiophen-2-ylacetate?
(2-fluorophenyl) 2-thiophen-2-ylacetate has a molecular weight of 236.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-thiophen-2-ylacetate is sourced from PubChem (CID 91700999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).