7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde

C15H8ClFO2 — CID 150178095

IUPAC7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde
SMILESO=Cc1cc(Cl)c2oc(-c3cccc(F)c3)cc2c1
InChIInChI=1S/C15H8ClFO2/c16-13-5-9(8-18)4-11-7-14(19-15(11)13)10-2-1-3-12(17)6-10/h1-8H
InChIKeyFKVJMLMQDBDDIJ-UHFFFAOYSA-N
MW274.68 g/mol
LogP4.70
Rot. Bonds2

About 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde

7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde (PubChem CID 150178095) has the molecular formula C15H8ClFO2 and a molecular weight of 274.68 g/mol. Its IUPAC name is 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde
PubChem CID150178095
Molecular FormulaC15H8ClFO2
Molecular Weight274.68 g/mol
Exact Mass274.02
IUPAC Name7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde
SMILESO=Cc1cc(Cl)c2oc(-c3cccc(F)c3)cc2c1
InChIInChI=1S/C15H8ClFO2/c16-13-5-9(8-18)4-11-7-14(19-15(11)13)10-2-1-3-12(17)6-10/h1-8H
InChIKeyFKVJMLMQDBDDIJ-UHFFFAOYSA-N
XLogP4.70
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 54.70
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-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde?
The IUPAC name of 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde (CID 150178095) is 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde is O=Cc1cc(Cl)c2oc(-c3cccc(F)c3)cc2c1.
What is the InChIKey of 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde?
The InChIKey is FKVJMLMQDBDDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFO2/c16-13-5-9(8-18)4-11-7-14(19-15(11)13)10-2-1-3-12(17)6-10/h1-8H.
What are the key properties of 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde?
7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde has a molecular weight of 274.68 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-fluorophenyl)-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 150178095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).