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

C16H14FNO3 — CID 1438681

IUPACethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c1-2-20-16(19)14-9-15-13(7-8-21-15)18(14)10-11-3-5-12(17)6-4-11/h3-9H,2,10H2,1H3
InChIKeyGVOMNKSWFHIHOR-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.60
Rot. Bonds4

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

ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438681) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438681
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Nameethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO3/c1-2-20-16(19)14-9-15-13(7-8-21-15)18(14)10-11-3-5-12(17)6-4-11/h3-9H,2,10H2,1H3
InChIKeyGVOMNKSWFHIHOR-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate (CID 1438681) is ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1Cc1ccc(F)cc1.
What is the InChIKey of ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GVOMNKSWFHIHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-2-20-16(19)14-9-15-13(7-8-21-15)18(14)10-11-3-5-12(17)6-4-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 287.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).