3-chloro-4-fluorobenzaldehyde

C7H4ClFO — CID 593866

IUPAC3-chloro-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKeyGVORVQPNNSASDM-UHFFFAOYSA-N
MW158.56 g/mol
LogP2.29
Rot. Bonds1

About 3-chloro-4-fluorobenzaldehyde

3-chloro-4-fluorobenzaldehyde (PubChem CID 593866) has the molecular formula C7H4ClFO and a molecular weight of 158.56 g/mol. Its IUPAC name is 3-chloro-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-fluorobenzaldehyde
PubChem CID593866
Molecular FormulaC7H4ClFO
Molecular Weight158.56 g/mol
Exact Mass157.99
IUPAC Name3-chloro-4-fluorobenzaldehyde
SMILESO=Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKeyGVORVQPNNSASDM-UHFFFAOYSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.56
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-4-fluorobenzaldehyde 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 3-chloro-4-fluorobenzaldehyde?
The IUPAC name of 3-chloro-4-fluorobenzaldehyde (CID 593866) is 3-chloro-4-fluorobenzaldehyde.
What is the SMILES notation for 3-chloro-4-fluorobenzaldehyde?
The canonical SMILES for 3-chloro-4-fluorobenzaldehyde is O=Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluorobenzaldehyde?
The InChIKey is GVORVQPNNSASDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H.
What are the key properties of 3-chloro-4-fluorobenzaldehyde?
3-chloro-4-fluorobenzaldehyde has a molecular weight of 158.56 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluorobenzaldehyde is sourced from PubChem (CID 593866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).