(4-fluorophenyl) thiophene-2-carboxylate

C11H7FO2S — CID 573740

IUPAC(4-fluorophenyl) thiophene-2-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C11H7FO2S/c12-8-3-5-9(6-4-8)14-11(13)10-2-1-7-15-10/h1-7H
InChIKeyCOJRBDCVQMYEQY-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.11
Rot. Bonds2

About (4-fluorophenyl) thiophene-2-carboxylate

(4-fluorophenyl) thiophene-2-carboxylate (PubChem CID 573740) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is (4-fluorophenyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) thiophene-2-carboxylate
PubChem CID573740
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Name(4-fluorophenyl) thiophene-2-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C11H7FO2S/c12-8-3-5-9(6-4-8)14-11(13)10-2-1-7-15-10/h1-7H
InChIKeyCOJRBDCVQMYEQY-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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Related Compounds

[4-(thiophene-2-carbonyloxy)phenyl] thiophene-2-carboxylate
CID 811680
(4-propanoylphenyl) thiophene-2-carboxylate
CID 811700
[(2E)-2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate
CID 2013363
(3-hydroxyphenyl) thiophene-2-carboxylate
CID 91704925
CID 172994739
CID 172994739
(4-chloro-3,5-dimethylphenyl) thiophene-2-carboxylate
CID 718567
[2-amino-3-cyano-4-(4-fluorophenyl)-4H-chromen-7-yl] thiophene-2-carboxylate
CID 19121931
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
[4-[(4-methoxyphenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 1092077
(3-methyl-4-propan-2-ylphenyl) thiophene-2-carboxylate
CID 881438
phenyl thiophene-2-carboperoxoate
CID 91186228
(3-ethynylphenyl) thiophene-2-carboxylate
CID 91802014

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) thiophene-2-carboxylate?
The IUPAC name of (4-fluorophenyl) thiophene-2-carboxylate (CID 573740) is (4-fluorophenyl) thiophene-2-carboxylate.
What is the SMILES notation for (4-fluorophenyl) thiophene-2-carboxylate?
The canonical SMILES for (4-fluorophenyl) thiophene-2-carboxylate is O=C(Oc1ccc(F)cc1)c1cccs1.
What is the InChIKey of (4-fluorophenyl) thiophene-2-carboxylate?
The InChIKey is COJRBDCVQMYEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-8-3-5-9(6-4-8)14-11(13)10-2-1-7-15-10/h1-7H.
What are the key properties of (4-fluorophenyl) thiophene-2-carboxylate?
(4-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 (4-fluorophenyl) thiophene-2-carboxylate is sourced from PubChem (CID 573740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).