(2-fluorophenyl) thiophene-2-carboxylate

C11H7FO2S — CID 78777006

IUPAC(2-fluorophenyl) thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1F)c1cccs1
InChIInChI=1S/C11H7FO2S/c12-8-4-1-2-5-9(8)14-11(13)10-6-3-7-15-10/h1-7H
InChIKeyFRYWOAXUDQBSIQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.11
Rot. Bonds2

About (2-fluorophenyl) thiophene-2-carboxylate

(2-fluorophenyl) thiophene-2-carboxylate (PubChem CID 78777006) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is (2-fluorophenyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl) thiophene-2-carboxylate
PubChem CID78777006
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Name(2-fluorophenyl) thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1F)c1cccs1
InChIInChI=1S/C11H7FO2S/c12-8-4-1-2-5-9(8)14-11(13)10-6-3-7-15-10/h1-7H
InChIKeyFRYWOAXUDQBSIQ-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.11
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) thiophene-2-carboxylate?
The IUPAC name of (2-fluorophenyl) thiophene-2-carboxylate (CID 78777006) is (2-fluorophenyl) thiophene-2-carboxylate.
What is the SMILES notation for (2-fluorophenyl) thiophene-2-carboxylate?
The canonical SMILES for (2-fluorophenyl) thiophene-2-carboxylate is O=C(Oc1ccccc1F)c1cccs1.
What is the InChIKey of (2-fluorophenyl) thiophene-2-carboxylate?
The InChIKey is FRYWOAXUDQBSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-8-4-1-2-5-9(8)14-11(13)10-6-3-7-15-10/h1-7H.
What are the key properties of (2-fluorophenyl) thiophene-2-carboxylate?
(2-fluorophenyl) thiophene-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) thiophene-2-carboxylate is sourced from PubChem (CID 78777006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).