[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate

C16H13FO3S — CID 134957202

IUPAC[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)C1CC1)c1ccccc1F)c1cccs1
InChIInChI=1S/C16H13FO3S/c17-12-5-2-1-4-11(12)15(14(18)10-7-8-10)20-16(19)13-6-3-9-21-13/h1-6,9-10,15H,7-8H2
InChIKeyFPJFQFZKIOHDOD-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.76
Rot. Bonds5

About [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate

[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 134957202) has the molecular formula C16H13FO3S and a molecular weight of 304.34 g/mol. Its IUPAC name is [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID134957202
Molecular FormulaC16H13FO3S
Molecular Weight304.34 g/mol
Exact Mass304.06
IUPAC Name[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)C1CC1)c1ccccc1F)c1cccs1
InChIInChI=1S/C16H13FO3S/c17-12-5-2-1-4-11(12)15(14(18)10-7-8-10)20-16(19)13-6-3-9-21-13/h1-6,9-10,15H,7-8H2
InChIKeyFPJFQFZKIOHDOD-UHFFFAOYSA-N
XLogP3.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate (CID 134957202) is [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate is O=C(OC(C(=O)C1CC1)c1ccccc1F)c1cccs1.
What is the InChIKey of [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is FPJFQFZKIOHDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3S/c17-12-5-2-1-4-11(12)15(14(18)10-7-8-10)20-16(19)13-6-3-9-21-13/h1-6,9-10,15H,7-8H2.
What are the key properties of [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate?
[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 304.34 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 134957202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).