3-chloro-5-ethoxy-4-fluorobenzaldehyde

C9H8ClFO2 — CID 164895508

IUPAC3-chloro-5-ethoxy-4-fluorobenzaldehyde
SMILESCCOc1cc(C=O)cc(Cl)c1F
InChIInChI=1S/C9H8ClFO2/c1-2-13-8-4-6(5-12)3-7(10)9(8)11/h3-5H,2H2,1H3
InChIKeyWAXYMYIOPYHTGH-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.69
Rot. Bonds3

About 3-chloro-5-ethoxy-4-fluorobenzaldehyde

3-chloro-5-ethoxy-4-fluorobenzaldehyde (PubChem CID 164895508) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-fluorobenzaldehyde
PubChem CID164895508
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name3-chloro-5-ethoxy-4-fluorobenzaldehyde
SMILESCCOc1cc(C=O)cc(Cl)c1F
InChIInChI=1S/C9H8ClFO2/c1-2-13-8-4-6(5-12)3-7(10)9(8)11/h3-5H,2H2,1H3
InChIKeyWAXYMYIOPYHTGH-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-ethoxy-4-(4-fluorophenyl)benzaldehyde
CID 90423669
3-chloro-5-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
CID 22682955
3-chloro-5-ethoxy-4-fluorobenzoic acid
CID 164895505
3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 883200
5-ethoxy-4-methylbenzene-1,3-dicarbaldehyde
CID 139667208
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 66528859
3-chloro-5-ethoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 22680981
2-chloro-3-ethoxy-5-fluorobenzaldehyde
CID 171005753
4-[(4-chloro-2-fluorophenyl)methoxy]-3-ethoxybenzaldehyde
CID 114849372
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-fluorobenzaldehyde?
The IUPAC name of 3-chloro-5-ethoxy-4-fluorobenzaldehyde (CID 164895508) is 3-chloro-5-ethoxy-4-fluorobenzaldehyde.
What is the SMILES notation for 3-chloro-5-ethoxy-4-fluorobenzaldehyde?
The canonical SMILES for 3-chloro-5-ethoxy-4-fluorobenzaldehyde is CCOc1cc(C=O)cc(Cl)c1F.
What is the InChIKey of 3-chloro-5-ethoxy-4-fluorobenzaldehyde?
The InChIKey is WAXYMYIOPYHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-2-13-8-4-6(5-12)3-7(10)9(8)11/h3-5H,2H2,1H3.
What are the key properties of 3-chloro-5-ethoxy-4-fluorobenzaldehyde?
3-chloro-5-ethoxy-4-fluorobenzaldehyde has a molecular weight of 202.61 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-fluorobenzaldehyde is sourced from PubChem (CID 164895508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).