7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde

C9H4ClFO2 — CID 65428039

IUPAC7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C9H4ClFO2/c10-8-3-6(11)1-5-2-7(4-12)13-9(5)8/h1-4H
InChIKeyGVADVDFVMGPJBU-UHFFFAOYSA-N
MW198.58 g/mol
LogP3.04
Rot. Bonds1

About 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde

7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde (PubChem CID 65428039) has the molecular formula C9H4ClFO2 and a molecular weight of 198.58 g/mol. Its IUPAC name is 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde
PubChem CID65428039
Molecular FormulaC9H4ClFO2
Molecular Weight198.58 g/mol
Exact Mass197.99
IUPAC Name7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde
SMILESO=Cc1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C9H4ClFO2/c10-8-3-6(11)1-5-2-7(4-12)13-9(5)8/h1-4H
InChIKeyGVADVDFVMGPJBU-UHFFFAOYSA-N
XLogP3.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 53.04
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 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde?
The IUPAC name of 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde (CID 65428039) is 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde is O=Cc1cc2cc(F)cc(Cl)c2o1.
What is the InChIKey of 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde?
The InChIKey is GVADVDFVMGPJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFO2/c10-8-3-6(11)1-5-2-7(4-12)13-9(5)8/h1-4H.
What are the key properties of 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde?
7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde has a molecular weight of 198.58 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 65428039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).