2-(4-chloro-3-fluorophenyl)benzaldehyde

C13H8ClFO — CID 18357470

IUPAC2-(4-chloro-3-fluorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H8ClFO/c14-12-6-5-9(7-13(12)15)11-4-2-1-3-10(11)8-16/h1-8H
InChIKeyKWNKSAXMTKXQHL-UHFFFAOYSA-N
MW234.66 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)benzaldehyde

2-(4-chloro-3-fluorophenyl)benzaldehyde (PubChem CID 18357470) has the molecular formula C13H8ClFO and a molecular weight of 234.66 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)benzaldehyde.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)benzaldehyde
PubChem CID18357470
Molecular FormulaC13H8ClFO
Molecular Weight234.66 g/mol
Exact Mass234.02
IUPAC Name2-(4-chloro-3-fluorophenyl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H8ClFO/c14-12-6-5-9(7-13(12)15)11-4-2-1-3-10(11)8-16/h1-8H
InChIKeyKWNKSAXMTKXQHL-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)benzaldehyde?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)benzaldehyde (CID 18357470) is 2-(4-chloro-3-fluorophenyl)benzaldehyde.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)benzaldehyde?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)benzaldehyde is O=Cc1ccccc1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)benzaldehyde?
The InChIKey is KWNKSAXMTKXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO/c14-12-6-5-9(7-13(12)15)11-4-2-1-3-10(11)8-16/h1-8H.
What are the key properties of 2-(4-chloro-3-fluorophenyl)benzaldehyde?
2-(4-chloro-3-fluorophenyl)benzaldehyde has a molecular weight of 234.66 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)benzaldehyde is sourced from PubChem (CID 18357470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).