5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde

C17H11FO2 — CID 132533984

IUPAC5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde
SMILESO=Cc1cc(-c2ccc(F)cc2)oc1-c1ccccc1
InChIInChI=1S/C17H11FO2/c18-15-8-6-12(7-9-15)16-10-14(11-19)17(20-16)13-4-2-1-3-5-13/h1-11H
InChIKeyBWAAVXANGOUBHU-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.57
Rot. Bonds3

About 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde

5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde (PubChem CID 132533984) has the molecular formula C17H11FO2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde
PubChem CID132533984
Molecular FormulaC17H11FO2
Molecular Weight266.27 g/mol
Exact Mass266.07
IUPAC Name5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde
SMILESO=Cc1cc(-c2ccc(F)cc2)oc1-c1ccccc1
InChIInChI=1S/C17H11FO2/c18-15-8-6-12(7-9-15)16-10-14(11-19)17(20-16)13-4-2-1-3-5-13/h1-11H
InChIKeyBWAAVXANGOUBHU-UHFFFAOYSA-N
XLogP4.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.57
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 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde?
The IUPAC name of 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde (CID 132533984) is 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde.
What is the SMILES notation for 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde?
The canonical SMILES for 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde is O=Cc1cc(-c2ccc(F)cc2)oc1-c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde?
The InChIKey is BWAAVXANGOUBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO2/c18-15-8-6-12(7-9-15)16-10-14(11-19)17(20-16)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde?
5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde has a molecular weight of 266.27 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-phenylfuran-3-carbaldehyde is sourced from PubChem (CID 132533984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).