methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate

C15H12FNO2S — CID 12004852

IUPACmethyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1Cc1cccc(F)c1
InChIInChI=1S/C15H12FNO2S/c1-19-15(18)13-8-11-5-6-20-14(11)17(13)9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3
InChIKeyWMOUZCIVMWVGSG-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.68
Rot. Bonds3

About methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate

methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 12004852) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID12004852
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Namemethyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2ccsc2n1Cc1cccc(F)c1
InChIInChI=1S/C15H12FNO2S/c1-19-15(18)13-8-11-5-6-20-14(11)17(13)9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3
InChIKeyWMOUZCIVMWVGSG-UHFFFAOYSA-N
XLogP3.68
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate (CID 12004852) is methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate is COC(=O)c1cc2ccsc2n1Cc1cccc(F)c1.
What is the InChIKey of methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is WMOUZCIVMWVGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c1-19-15(18)13-8-11-5-6-20-14(11)17(13)9-10-3-2-4-12(16)7-10/h2-8H,9H2,1H3.
What are the key properties of methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate?
methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 12004852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).