2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone

C14H9BrF2O — CID 21399995

IUPAC2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone
SMILESO=C(CBr)c1ccccc1-c1ccc(F)cc1F
InChIInChI=1S/C14H9BrF2O/c15-8-14(18)12-4-2-1-3-10(12)11-6-5-9(16)7-13(11)17/h1-7H,8H2
InChIKeyLIRKLFSJQDJGON-UHFFFAOYSA-N
MW311.13 g/mol
LogP4.21
Rot. Bonds3

About 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone

2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone (PubChem CID 21399995) has the molecular formula C14H9BrF2O and a molecular weight of 311.13 g/mol. Its IUPAC name is 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone
PubChem CID21399995
Molecular FormulaC14H9BrF2O
Molecular Weight311.13 g/mol
Exact Mass309.98
IUPAC Name2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone
SMILESO=C(CBr)c1ccccc1-c1ccc(F)cc1F
InChIInChI=1S/C14H9BrF2O/c15-8-14(18)12-4-2-1-3-10(12)11-6-5-9(16)7-13(11)17/h1-7H,8H2
InChIKeyLIRKLFSJQDJGON-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone 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-1-[2-(2,4-difluorophenyl)phenyl]ethanone?
The IUPAC name of 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone (CID 21399995) is 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone is O=C(CBr)c1ccccc1-c1ccc(F)cc1F.
What is the InChIKey of 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone?
The InChIKey is LIRKLFSJQDJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O/c15-8-14(18)12-4-2-1-3-10(12)11-6-5-9(16)7-13(11)17/h1-7H,8H2.
What are the key properties of 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone?
2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone has a molecular weight of 311.13 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(2,4-difluorophenyl)phenyl]ethanone is sourced from PubChem (CID 21399995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).