3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde

C15H8ClFO2 — CID 122476342

IUPAC3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2cc3cccc(F)c3o2)c1
InChIInChI=1S/C15H8ClFO2/c16-12-5-9(8-18)4-11(6-12)14-7-10-2-1-3-13(17)15(10)19-14/h1-8H
InChIKeyUJQIFIUIHCAYGZ-UHFFFAOYSA-N
MW274.68 g/mol
LogP4.70
Rot. Bonds2

About 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde

3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde (PubChem CID 122476342) has the molecular formula C15H8ClFO2 and a molecular weight of 274.68 g/mol. Its IUPAC name is 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde
PubChem CID122476342
Molecular FormulaC15H8ClFO2
Molecular Weight274.68 g/mol
Exact Mass274.02
IUPAC Name3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2cc3cccc(F)c3o2)c1
InChIInChI=1S/C15H8ClFO2/c16-12-5-9(8-18)4-11(6-12)14-7-10-2-1-3-13(17)15(10)19-14/h1-8H
InChIKeyUJQIFIUIHCAYGZ-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 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde?
The IUPAC name of 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde (CID 122476342) is 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde.
What is the SMILES notation for 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde?
The canonical SMILES for 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde is O=Cc1cc(Cl)cc(-c2cc3cccc(F)c3o2)c1.
What is the InChIKey of 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde?
The InChIKey is UJQIFIUIHCAYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFO2/c16-12-5-9(8-18)4-11(6-12)14-7-10-2-1-3-13(17)15(10)19-14/h1-8H.
What are the key properties of 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde?
3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde 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 3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde is sourced from PubChem (CID 122476342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).