5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde

C17H10F2O2 — CID 169334405

IUPAC5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(F)cc3F)cc2)o1
InChIInChI=1S/C17H10F2O2/c18-13-5-7-15(16(19)9-13)11-1-3-12(4-2-11)17-8-6-14(10-20)21-17/h1-10H
InChIKeyBETOKDJENZAEMU-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.70
Rot. Bonds3

About 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde

5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde (PubChem CID 169334405) has the molecular formula C17H10F2O2 and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
PubChem CID169334405
Molecular FormulaC17H10F2O2
Molecular Weight284.26 g/mol
Exact Mass284.06
IUPAC Name5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(-c3ccc(F)cc3F)cc2)o1
InChIInChI=1S/C17H10F2O2/c18-13-5-7-15(16(19)9-13)11-1-3-12(4-2-11)17-8-6-14(10-20)21-17/h1-10H
InChIKeyBETOKDJENZAEMU-UHFFFAOYSA-N
XLogP4.70
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
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 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde (CID 169334405) is 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(-c3ccc(F)cc3F)cc2)o1.
What is the InChIKey of 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde?
The InChIKey is BETOKDJENZAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2O2/c18-13-5-7-15(16(19)9-13)11-1-3-12(4-2-11)17-8-6-14(10-20)21-17/h1-10H.
What are the key properties of 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde?
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde has a molecular weight of 284.26 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).