5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde

C15H9FO4 — CID 19422208

IUPAC5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2occc2Oc2ccc(F)cc2)o1
InChIInChI=1S/C15H9FO4/c16-10-1-3-11(4-2-10)19-14-7-8-18-15(14)13-6-5-12(9-17)20-13/h1-9H
InChIKeyVRLVGPQQNHENKN-UHFFFAOYSA-N
MW272.23 g/mol
LogP4.28
Rot. Bonds4

About 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde

5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde (PubChem CID 19422208) has the molecular formula C15H9FO4 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde
PubChem CID19422208
Molecular FormulaC15H9FO4
Molecular Weight272.23 g/mol
Exact Mass272.05
IUPAC Name5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2occc2Oc2ccc(F)cc2)o1
InChIInChI=1S/C15H9FO4/c16-10-1-3-11(4-2-10)19-14-7-8-18-15(14)13-6-5-12(9-17)20-13/h1-9H
InChIKeyVRLVGPQQNHENKN-UHFFFAOYSA-N
XLogP4.28
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde (CID 19422208) is 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2occc2Oc2ccc(F)cc2)o1.
What is the InChIKey of 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde?
The InChIKey is VRLVGPQQNHENKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO4/c16-10-1-3-11(4-2-10)19-14-7-8-18-15(14)13-6-5-12(9-17)20-13/h1-9H.
What are the key properties of 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde?
5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde has a molecular weight of 272.23 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenoxy)furan-2-yl]furan-2-carbaldehyde is sourced from PubChem (CID 19422208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).