5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde

C11H6FNO2 — CID 115007665

IUPAC5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
SMILESO=Cc1cc2c([nH]1)oc1c(F)cccc12
InChIInChI=1S/C11H6FNO2/c12-9-3-1-2-7-8-4-6(5-14)13-11(8)15-10(7)9/h1-5,13H
InChIKeyWZBAFJLQSUKNJQ-UHFFFAOYSA-N
MW203.17 g/mol
LogP2.87
Rot. Bonds1

About 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde

5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde (PubChem CID 115007665) has the molecular formula C11H6FNO2 and a molecular weight of 203.17 g/mol. Its IUPAC name is 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
PubChem CID115007665
Molecular FormulaC11H6FNO2
Molecular Weight203.17 g/mol
Exact Mass203.04
IUPAC Name5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
SMILESO=Cc1cc2c([nH]1)oc1c(F)cccc12
InChIInChI=1S/C11H6FNO2/c12-9-3-1-2-7-8-4-6(5-14)13-11(8)15-10(7)9/h1-5,13H
InChIKeyWZBAFJLQSUKNJQ-UHFFFAOYSA-N
XLogP2.87
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carbaldehyde
CID 115007429
4-oxo-1H-chromeno[4,3-b]pyrrole-2-carbaldehyde
CID 15530921
4-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 130062826
2,3-dibromo-7-fluoro-1-benzofuran
CID 155783861
2-(6-fluorodibenzofuran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170931267
2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde
CID 87406474
2-tert-butyl-7-fluoro-1H-indole-3-carbaldehyde
CID 5131331
N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
CID 134527957
3-methoxy-6H-furo[2,3-b]pyrrole-5-carbaldehyde
CID 96633557
6-fluoro-N-methyl-N-(2-methylphenyl)dibenzofuran-4-amine
CID 134527955
3-amino-5-fluoroxanthen-9-one
CID 71946928
7-fluoro-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3810268

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The IUPAC name of 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde (CID 115007665) is 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The canonical SMILES for 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde is O=Cc1cc2c([nH]1)oc1c(F)cccc12.
What is the InChIKey of 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
The InChIKey is WZBAFJLQSUKNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNO2/c12-9-3-1-2-7-8-4-6(5-14)13-11(8)15-10(7)9/h1-5,13H.
What are the key properties of 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde?
5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde has a molecular weight of 203.17 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3H-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde is sourced from PubChem (CID 115007665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).