2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde

C10H10ClFO3 — CID 59803816

IUPAC2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1ccc(F)c(C=O)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-14-4-5-15-9-3-2-8(12)7(6-13)10(9)11/h2-3,6H,4-5H2,1H3
InChIKeyZOQAUNASSOZXMR-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.32
Rot. Bonds5

About 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde

2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde (PubChem CID 59803816) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde
PubChem CID59803816
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1ccc(F)c(C=O)c1Cl
InChIInChI=1S/C10H10ClFO3/c1-14-4-5-15-9-3-2-8(12)7(6-13)10(9)11/h2-3,6H,4-5H2,1H3
InChIKeyZOQAUNASSOZXMR-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde?
The IUPAC name of 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde (CID 59803816) is 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde?
The canonical SMILES for 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde is COCCOc1ccc(F)c(C=O)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde?
The InChIKey is ZOQAUNASSOZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-14-4-5-15-9-3-2-8(12)7(6-13)10(9)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde?
2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde has a molecular weight of 232.64 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-(2-methoxyethoxy)benzaldehyde is sourced from PubChem (CID 59803816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).