3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde

C8H4ClF3O2 — CID 171002242

IUPAC3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(Cl)c1OC(F)F
InChIInChI=1S/C8H4ClF3O2/c9-6-2-5(10)1-4(3-13)7(6)14-8(11)12/h1-3,8H
InChIKeyZEYZDEJASVVNHU-UHFFFAOYSA-N
MW224.57 g/mol
LogP2.89
Rot. Bonds3

About 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde

3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde (PubChem CID 171002242) has the molecular formula C8H4ClF3O2 and a molecular weight of 224.57 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
PubChem CID171002242
Molecular FormulaC8H4ClF3O2
Molecular Weight224.57 g/mol
Exact Mass223.99
IUPAC Name3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(Cl)c1OC(F)F
InChIInChI=1S/C8H4ClF3O2/c9-6-2-5(10)1-4(3-13)7(6)14-8(11)12/h1-3,8H
InChIKeyZEYZDEJASVVNHU-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde
CID 131378836
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467
2-[2-(difluoromethoxy)-5-fluoro-3-formylphenyl]-2-hydroxyacetic acid
CID 171026260
2-butoxy-3-chloro-5-fluorobenzaldehyde
CID 90384298
5-chloro-2-(difluoromethoxy)-3-nitrobenzaldehyde
CID 171005168
4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
CID 171027705
3,6-dichloro-2-(difluoromethoxy)benzaldehyde
CID 121228177
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
CID 84684172
2-(difluoromethoxy)-5-fluoroterephthalaldehyde
CID 171026427
2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
CID 119008832
2-(difluoromethoxy)-3-methoxyterephthalaldehyde
CID 171027843

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde?
The IUPAC name of 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde (CID 171002242) is 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde is O=Cc1cc(F)cc(Cl)c1OC(F)F.
What is the InChIKey of 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde?
The InChIKey is ZEYZDEJASVVNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O2/c9-6-2-5(10)1-4(3-13)7(6)14-8(11)12/h1-3,8H.
What are the key properties of 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde?
3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde has a molecular weight of 224.57 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 171002242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).