2-bromo-4-(trifluoromethyl)benzaldehyde

C8H4BrF3O — CID 3020373

IUPAC2-bromo-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChIKeyCUKSTNNYAHZPRM-UHFFFAOYSA-N
MW253.02 g/mol
LogP3.28
Rot. Bonds1

About 2-bromo-4-(trifluoromethyl)benzaldehyde

2-bromo-4-(trifluoromethyl)benzaldehyde (PubChem CID 3020373) has the molecular formula C8H4BrF3O and a molecular weight of 253.02 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)benzaldehyde
PubChem CID3020373
Molecular FormulaC8H4BrF3O
Molecular Weight253.02 g/mol
Exact Mass251.94
IUPAC Name2-bromo-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChIKeyCUKSTNNYAHZPRM-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.02
LogP ≤ 53.28
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 2-bromo-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-bromo-4-(trifluoromethyl)benzaldehyde (CID 3020373) is 2-bromo-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)benzaldehyde is O=Cc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)benzaldehyde?
The InChIKey is CUKSTNNYAHZPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H.
What are the key properties of 2-bromo-4-(trifluoromethyl)benzaldehyde?
2-bromo-4-(trifluoromethyl)benzaldehyde has a molecular weight of 253.02 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 3020373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).