2,5-dichloro-3,6-difluorobenzaldehyde

C7H2Cl2F2O — CID 51000168

IUPAC2,5-dichloro-3,6-difluorobenzaldehyde
SMILESO=Cc1c(F)c(Cl)cc(F)c1Cl
InChIInChI=1S/C7H2Cl2F2O/c8-4-1-5(10)6(9)3(2-12)7(4)11/h1-2H
InChIKeyLZDANQRZSCJYMT-UHFFFAOYSA-N
MW210.99 g/mol
LogP3.08
Rot. Bonds1

About 2,5-dichloro-3,6-difluorobenzaldehyde

2,5-dichloro-3,6-difluorobenzaldehyde (PubChem CID 51000168) has the molecular formula C7H2Cl2F2O and a molecular weight of 210.99 g/mol. Its IUPAC name is 2,5-dichloro-3,6-difluorobenzaldehyde.

Molecular Properties

Compound Name2,5-dichloro-3,6-difluorobenzaldehyde
PubChem CID51000168
Molecular FormulaC7H2Cl2F2O
Molecular Weight210.99 g/mol
Exact Mass209.95
IUPAC Name2,5-dichloro-3,6-difluorobenzaldehyde
SMILESO=Cc1c(F)c(Cl)cc(F)c1Cl
InChIInChI=1S/C7H2Cl2F2O/c8-4-1-5(10)6(9)3(2-12)7(4)11/h1-2H
InChIKeyLZDANQRZSCJYMT-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.99
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,5-dichloro-3,6-difluorobenzaldehyde 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 2,5-dichloro-3,6-difluorobenzaldehyde?
The IUPAC name of 2,5-dichloro-3,6-difluorobenzaldehyde (CID 51000168) is 2,5-dichloro-3,6-difluorobenzaldehyde.
What is the SMILES notation for 2,5-dichloro-3,6-difluorobenzaldehyde?
The canonical SMILES for 2,5-dichloro-3,6-difluorobenzaldehyde is O=Cc1c(F)c(Cl)cc(F)c1Cl.
What is the InChIKey of 2,5-dichloro-3,6-difluorobenzaldehyde?
The InChIKey is LZDANQRZSCJYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2O/c8-4-1-5(10)6(9)3(2-12)7(4)11/h1-2H.
What are the key properties of 2,5-dichloro-3,6-difluorobenzaldehyde?
2,5-dichloro-3,6-difluorobenzaldehyde has a molecular weight of 210.99 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3,6-difluorobenzaldehyde is sourced from PubChem (CID 51000168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).