methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C16H12FNO4 — CID 134147418

IUPACmethyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)c1cccc(F)c1
InChIInChI=1S/C16H12FNO4/c1-21-16(20)13-8-15-12(5-6-22-15)18(13)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9H2,1H3
InChIKeyJSDHZDRKUJUTGH-UHFFFAOYSA-N
MW301.27 g/mol
LogP3.04
Rot. Bonds4

About methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 134147418) has the molecular formula C16H12FNO4 and a molecular weight of 301.27 g/mol. Its IUPAC name is methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID134147418
Molecular FormulaC16H12FNO4
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC Namemethyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)c1cccc(F)c1
InChIInChI=1S/C16H12FNO4/c1-21-16(20)13-8-15-12(5-6-22-15)18(13)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9H2,1H3
InChIKeyJSDHZDRKUJUTGH-UHFFFAOYSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 134147418) is methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)c1cccc(F)c1.
What is the InChIKey of methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is JSDHZDRKUJUTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO4/c1-21-16(20)13-8-15-12(5-6-22-15)18(13)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9H2,1H3.
What are the key properties of methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 301.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-fluorophenyl)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 134147418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).