3-(2-chlorophenyl)-5-fluorobenzaldehyde

C13H8ClFO — CID 166643026

IUPAC3-(2-chlorophenyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(-c2ccccc2Cl)c1
InChIInChI=1S/C13H8ClFO/c14-13-4-2-1-3-12(13)10-5-9(8-16)6-11(15)7-10/h1-8H
InChIKeyNRQIJLUKIKZOJF-UHFFFAOYSA-N
MW234.66 g/mol
LogP3.96
Rot. Bonds2

About 3-(2-chlorophenyl)-5-fluorobenzaldehyde

3-(2-chlorophenyl)-5-fluorobenzaldehyde (PubChem CID 166643026) has the molecular formula C13H8ClFO and a molecular weight of 234.66 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-fluorobenzaldehyde
PubChem CID166643026
Molecular FormulaC13H8ClFO
Molecular Weight234.66 g/mol
Exact Mass234.02
IUPAC Name3-(2-chlorophenyl)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(-c2ccccc2Cl)c1
InChIInChI=1S/C13H8ClFO/c14-13-4-2-1-3-12(13)10-5-9(8-16)6-11(15)7-10/h1-8H
InChIKeyNRQIJLUKIKZOJF-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 3-(2-chlorophenyl)-5-fluorobenzaldehyde?
The IUPAC name of 3-(2-chlorophenyl)-5-fluorobenzaldehyde (CID 166643026) is 3-(2-chlorophenyl)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(2-chlorophenyl)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(2-chlorophenyl)-5-fluorobenzaldehyde is O=Cc1cc(F)cc(-c2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-fluorobenzaldehyde?
The InChIKey is NRQIJLUKIKZOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFO/c14-13-4-2-1-3-12(13)10-5-9(8-16)6-11(15)7-10/h1-8H.
What are the key properties of 3-(2-chlorophenyl)-5-fluorobenzaldehyde?
3-(2-chlorophenyl)-5-fluorobenzaldehyde 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 3-(2-chlorophenyl)-5-fluorobenzaldehyde is sourced from PubChem (CID 166643026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).