2-bromo-4-(difluoromethyl)benzaldehyde

C8H5BrF2O — CID 84698198

IUPAC2-bromo-4-(difluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)F)cc1Br
InChIInChI=1S/C8H5BrF2O/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-4,8H
InChIKeyGPRJXGIOAVXRJO-UHFFFAOYSA-N
MW235.03 g/mol
LogP3.20
Rot. Bonds2

About 2-bromo-4-(difluoromethyl)benzaldehyde

2-bromo-4-(difluoromethyl)benzaldehyde (PubChem CID 84698198) has the molecular formula C8H5BrF2O and a molecular weight of 235.03 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)benzaldehyde
PubChem CID84698198
Molecular FormulaC8H5BrF2O
Molecular Weight235.03 g/mol
Exact Mass233.95
IUPAC Name2-bromo-4-(difluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)F)cc1Br
InChIInChI=1S/C8H5BrF2O/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-4,8H
InChIKeyGPRJXGIOAVXRJO-UHFFFAOYSA-N
XLogP3.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-4-(difluoromethyl)benzaldehyde 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 2-bromo-4-(difluoromethyl)benzaldehyde?
The IUPAC name of 2-bromo-4-(difluoromethyl)benzaldehyde (CID 84698198) is 2-bromo-4-(difluoromethyl)benzaldehyde.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)benzaldehyde?
The canonical SMILES for 2-bromo-4-(difluoromethyl)benzaldehyde is O=Cc1ccc(C(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(difluoromethyl)benzaldehyde?
The InChIKey is GPRJXGIOAVXRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-4,8H.
What are the key properties of 2-bromo-4-(difluoromethyl)benzaldehyde?
2-bromo-4-(difluoromethyl)benzaldehyde has a molecular weight of 235.03 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)benzaldehyde is sourced from PubChem (CID 84698198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).