5-(4-fluorophenyl)furan-2-carbaldehyde

C11H7FO2 — CID 766117

IUPAC5-(4-fluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H7FO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKeyCKQKBILGSICMPT-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.90
Rot. Bonds2

About 5-(4-fluorophenyl)furan-2-carbaldehyde

5-(4-fluorophenyl)furan-2-carbaldehyde (PubChem CID 766117) has the molecular formula C11H7FO2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 5-(4-fluorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluorophenyl)furan-2-carbaldehyde
PubChem CID766117
Molecular FormulaC11H7FO2
Molecular Weight190.17 g/mol
Exact Mass190.04
IUPAC Name5-(4-fluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C11H7FO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKeyCKQKBILGSICMPT-UHFFFAOYSA-N
XLogP2.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-fluorophenyl)furan-2-carbaldehyde (CID 766117) is 5-(4-fluorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-fluorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-fluorophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)furan-2-carbaldehyde?
The InChIKey is CKQKBILGSICMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H.
What are the key properties of 5-(4-fluorophenyl)furan-2-carbaldehyde?
5-(4-fluorophenyl)furan-2-carbaldehyde has a molecular weight of 190.17 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 766117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).