methyl 3-(4-fluorophenyl)thiophene-2-carboxylate

C12H9FO2S — CID 90686203

IUPACmethyl 3-(4-fluorophenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(F)cc1
InChIInChI=1S/C12H9FO2S/c1-15-12(14)11-10(6-7-16-11)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyRFSQSXHWVGPIQO-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.34
Rot. Bonds2

About methyl 3-(4-fluorophenyl)thiophene-2-carboxylate

methyl 3-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 90686203) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID90686203
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Namemethyl 3-(4-fluorophenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(F)cc1
InChIInChI=1S/C12H9FO2S/c1-15-12(14)11-10(6-7-16-11)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyRFSQSXHWVGPIQO-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(4-fluorophenyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735355
methyl 3-(2,4,5-trichlorophenyl)thiophene-2-carboxylate
CID 134634500
methyl 3-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxylate
CID 166607538
(2-methoxy-4-methoxycarbonylphenyl) 3-(4-methylphenyl)thiophene-2-carboxylate
CID 22831102
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(5-acetylfuran-2-yl)thiophene-2-carboxylate
CID 2739697
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 51127282
methyl 3-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]thiophene-2-carboxylate
CID 3381473
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
methyl 3-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]thiophene-2-carboxylate
CID 97061464

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)thiophene-2-carboxylate (CID 90686203) is methyl 3-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(F)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is RFSQSXHWVGPIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c1-15-12(14)11-10(6-7-16-11)8-2-4-9(13)5-3-8/h2-7H,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)thiophene-2-carboxylate?
methyl 3-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 90686203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).