4-bromo-2-ethoxy-1-(trifluoromethyl)benzene

C9H8BrF3O — CID 75480439

IUPAC4-bromo-2-ethoxy-1-(trifluoromethyl)benzene
SMILESCCOc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C9H8BrF3O/c1-2-14-8-5-6(10)3-4-7(8)9(11,12)13/h3-5H,2H2,1H3
InChIKeyAFZSOGLGDIPPHP-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.87
Rot. Bonds2

About 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene

4-bromo-2-ethoxy-1-(trifluoromethyl)benzene (PubChem CID 75480439) has the molecular formula C9H8BrF3O and a molecular weight of 269.06 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-2-ethoxy-1-(trifluoromethyl)benzene
PubChem CID75480439
Molecular FormulaC9H8BrF3O
Molecular Weight269.06 g/mol
Exact Mass267.97
IUPAC Name4-bromo-2-ethoxy-1-(trifluoromethyl)benzene
SMILESCCOc1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C9H8BrF3O/c1-2-14-8-5-6(10)3-4-7(8)9(11,12)13/h3-5H,2H2,1H3
InChIKeyAFZSOGLGDIPPHP-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene (CID 75480439) is 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene is CCOc1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene?
The InChIKey is AFZSOGLGDIPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O/c1-2-14-8-5-6(10)3-4-7(8)9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene?
4-bromo-2-ethoxy-1-(trifluoromethyl)benzene has a molecular weight of 269.06 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-1-(trifluoromethyl)benzene is sourced from PubChem (CID 75480439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).