4-(2-chloro-5-fluorophenyl)benzaldehyde

C13H8ClFO — CID 105395676

IUPAC4-(2-chloro-5-fluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C13H8ClFO/c14-13-6-5-11(15)7-12(13)10-3-1-9(8-16)2-4-10/h1-8H
InChIKeyRNTAFOPICZLKGK-UHFFFAOYSA-N
MW234.66 g/mol
LogP3.96
Rot. Bonds2

About 4-(2-chloro-5-fluorophenyl)benzaldehyde

4-(2-chloro-5-fluorophenyl)benzaldehyde (PubChem CID 105395676) has the molecular formula C13H8ClFO and a molecular weight of 234.66 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)benzaldehyde
PubChem CID105395676
Molecular FormulaC13H8ClFO
Molecular Weight234.66 g/mol
Exact Mass234.02
IUPAC Name4-(2-chloro-5-fluorophenyl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C13H8ClFO/c14-13-6-5-11(15)7-12(13)10-3-1-9(8-16)2-4-10/h1-8H
InChIKeyRNTAFOPICZLKGK-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 4-(2-chloro-5-fluorophenyl)benzaldehyde?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)benzaldehyde (CID 105395676) is 4-(2-chloro-5-fluorophenyl)benzaldehyde.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)benzaldehyde?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)benzaldehyde is O=Cc1ccc(-c2cc(F)ccc2Cl)cc1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)benzaldehyde?
The InChIKey is RNTAFOPICZLKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO/c14-13-6-5-11(15)7-12(13)10-3-1-9(8-16)2-4-10/h1-8H.
What are the key properties of 4-(2-chloro-5-fluorophenyl)benzaldehyde?
4-(2-chloro-5-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 4-(2-chloro-5-fluorophenyl)benzaldehyde is sourced from PubChem (CID 105395676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).