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

C10H8F4O — CID 166657109

IUPAC4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
SMILESCCc1ccc(C=O)c(F)c1C(F)(F)F
InChIInChI=1S/C10H8F4O/c1-2-6-3-4-7(5-15)9(11)8(6)10(12,13)14/h3-5H,2H2,1H3
InChIKeyCSTLDZPMKSMJLZ-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.22
Rot. Bonds2

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 Name4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
PubChem CID166657109
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
SMILESCCc1ccc(C=O)c(F)c1C(F)(F)F
InChIInChI=1S/C10H8F4O/c1-2-6-3-4-7(5-15)9(11)8(6)10(12,13)14/h3-5H,2H2,1H3
InChIKeyCSTLDZPMKSMJLZ-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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).