4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde

C₁₀H₈F₄O — CID 166657109

About 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde

4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde (PubChem CID 166657109) has the molecular formula C₁₀H₈F₄O and a molecular weight of 220.16 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

• Compound Name: 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
• PubChem CID: 166657109
• Molecular Formula: C₁₀H₈F₄O
• Molecular Weight: 220.16 g/mol
• Exact Mass: 220.05
• IUPAC Name: 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
• SMILES: CCc1ccc(C=O)c(F)c1C(F)(F)F
• InChI: InChI=1S/C10H8F4O/c1-2-6-3-4-7(5-15)9(11)8(6)10(12,13)14/h3-5H,2H2,1H3
• InChIKey: CSTLDZPMKSMJLZ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.16
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde?

The IUPAC name of 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde (CID 166657109) is 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde.

What is the SMILES notation for 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde?

The canonical SMILES for 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde is CCc1ccc(C=O)c(F)c1C(F)(F)F.

What is the InChIKey of 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde?

The InChIKey is CSTLDZPMKSMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-2-6-3-4-7(5-15)9(11)8(6)10(12,13)14/h3-5H,2H2,1H3.

What are the key properties of 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde?

4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde has a molecular weight of 220.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 166657109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166657109 — identifiers, structure, computed properties (public domain)

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