3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde

C9H4BrFO2 — CID 71378043

IUPAC3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde
SMILESO=Cc1ccc2c(Br)c(F)oc2c1
InChIInChI=1S/C9H4BrFO2/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-4H
InChIKeyZFYJQVYIWJUKEV-UHFFFAOYSA-N
MW243.03 g/mol
LogP3.15
Rot. Bonds1

About 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde

3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde (PubChem CID 71378043) has the molecular formula C9H4BrFO2 and a molecular weight of 243.03 g/mol. Its IUPAC name is 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde
PubChem CID71378043
Molecular FormulaC9H4BrFO2
Molecular Weight243.03 g/mol
Exact Mass241.94
IUPAC Name3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde
SMILESO=Cc1ccc2c(Br)c(F)oc2c1
InChIInChI=1S/C9H4BrFO2/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-4H
InChIKeyZFYJQVYIWJUKEV-UHFFFAOYSA-N
XLogP3.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.03
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde?
The IUPAC name of 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde (CID 71378043) is 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde.
What is the SMILES notation for 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde?
The canonical SMILES for 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde is O=Cc1ccc2c(Br)c(F)oc2c1.
What is the InChIKey of 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde?
The InChIKey is ZFYJQVYIWJUKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFO2/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-4H.
What are the key properties of 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde?
3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde has a molecular weight of 243.03 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-1-benzofuran-6-carbaldehyde is sourced from PubChem (CID 71378043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).