2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde

C9H8ClFO2 — CID 130624407

IUPAC2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1cccc(Cl)c1F
InChIInChI=1S/C9H8ClFO2/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-5,8H,1H3
InChIKeyWEQDFNFXOQBUOF-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.37
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde

2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde (PubChem CID 130624407) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde
PubChem CID130624407
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1cccc(Cl)c1F
InChIInChI=1S/C9H8ClFO2/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-5,8H,1H3
InChIKeyWEQDFNFXOQBUOF-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde 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-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde (CID 130624407) is 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde is COC(C=O)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde?
The InChIKey is WEQDFNFXOQBUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-13-8(5-12)6-3-2-4-7(10)9(6)11/h2-5,8H,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde?
2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde has a molecular weight of 202.61 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-methoxyacetaldehyde is sourced from PubChem (CID 130624407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).