fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

C13H8FNO2S — CID 143604967

IUPACfluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
SMILESO=C(OF)c1cc2c(-c3ccccc3)csc2[nH]1
InChIInChI=1S/C13H8FNO2S/c14-17-13(16)11-6-9-10(7-18-12(9)15-11)8-4-2-1-3-5-8/h1-7,15H
InChIKeyJIHATJOGSBTSNU-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.94
Rot. Bonds2

About fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 143604967) has the molecular formula C13H8FNO2S and a molecular weight of 261.28 g/mol. Its IUPAC name is fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namefluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID143604967
Molecular FormulaC13H8FNO2S
Molecular Weight261.28 g/mol
Exact Mass261.03
IUPAC Namefluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
SMILESO=C(OF)c1cc2c(-c3ccccc3)csc2[nH]1
InChIInChI=1S/C13H8FNO2S/c14-17-13(16)11-6-9-10(7-18-12(9)15-11)8-4-2-1-3-5-8/h1-7,15H
InChIKeyJIHATJOGSBTSNU-UHFFFAOYSA-N
XLogP3.94
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate (CID 143604967) is fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate is O=C(OF)c1cc2c(-c3ccccc3)csc2[nH]1.
What is the InChIKey of fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is JIHATJOGSBTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2S/c14-17-13(16)11-6-9-10(7-18-12(9)15-11)8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate?
fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-phenyl-6H-thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 143604967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).