4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde

C10H8F4O2 — CID 166904905

IUPAC4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde
SMILESCCOc1cc(C(F)(F)F)c(C=O)cc1F
InChIInChI=1S/C10H8F4O2/c1-2-16-9-4-7(10(12,13)14)6(5-15)3-8(9)11/h3-5H,2H2,1H3
InChIKeyGXALCNTZHQJYPG-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.06
Rot. Bonds3

About 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde

4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde (PubChem CID 166904905) has the molecular formula C10H8F4O2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde
PubChem CID166904905
Molecular FormulaC10H8F4O2
Molecular Weight236.16 g/mol
Exact Mass236.05
IUPAC Name4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde
SMILESCCOc1cc(C(F)(F)F)c(C=O)cc1F
InChIInChI=1S/C10H8F4O2/c1-2-16-9-4-7(10(12,13)14)6(5-15)3-8(9)11/h3-5H,2H2,1H3
InChIKeyGXALCNTZHQJYPG-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.06
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

5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528
5-ethoxy-2-methoxy-4-(trifluoromethyl)benzaldehyde
CID 171417410
4-ethoxy-5-fluoro-2-(trifluoromethyl)benzoic acid
CID 171002908
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2-ethoxy-4-fluoro-5-iodobenzaldehyde
CID 131313075
ethyl 5-formyl-2,4-bis(trifluoromethyl)benzoate
CID 134638706
4-amino-2-fluoro-5-(trifluoromethyl)benzaldehyde
CID 118846166
5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 131075471
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
2-chloro-3-ethoxy-5-fluorobenzaldehyde
CID 171005753
2-ethoxy-4-(trifluoromethyl)benzaldehyde;2-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 163641356
2-(2-ethoxyphenoxy)-5-(trifluoromethyl)benzaldehyde
CID 155416967

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde (CID 166904905) is 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde is CCOc1cc(C(F)(F)F)c(C=O)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde?
The InChIKey is GXALCNTZHQJYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O2/c1-2-16-9-4-7(10(12,13)14)6(5-15)3-8(9)11/h3-5H,2H2,1H3.
What are the key properties of 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde?
4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde has a molecular weight of 236.16 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 166904905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).