ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

C13H12FNO2S — CID 613091

IUPACethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1N
InChIInChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKeyCJMZLCRLBNZJQR-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.31
Rot. Bonds3

About ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate (PubChem CID 613091) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
PubChem CID613091
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Nameethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)csc1N
InChIInChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChIKeyCJMZLCRLBNZJQR-UHFFFAOYSA-N
XLogP3.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate (CID 613091) is ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)csc1N.
What is the InChIKey of ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate?
The InChIKey is CJMZLCRLBNZJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3.
What are the key properties of ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate?
ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate is sourced from PubChem (CID 613091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).