2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone

C14H7BrF4O — CID 106266059

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1ccc(F)cc1F
InChIInChI=1S/C14H7BrF4O/c15-10-3-4-11(17)9(14(10)19)6-13(20)8-2-1-7(16)5-12(8)18/h1-5H,6H2
InChIKeyLOVMKLOFUYSNBI-UHFFFAOYSA-N
MW347.11 g/mol
LogP4.43
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone (PubChem CID 106266059) has the molecular formula C14H7BrF4O and a molecular weight of 347.11 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
PubChem CID106266059
Molecular FormulaC14H7BrF4O
Molecular Weight347.11 g/mol
Exact Mass345.96
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1ccc(F)cc1F
InChIInChI=1S/C14H7BrF4O/c15-10-3-4-11(17)9(14(10)19)6-13(20)8-2-1-7(16)5-12(8)18/h1-5H,6H2
InChIKeyLOVMKLOFUYSNBI-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.11
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
1-(3-bromo-2,6-difluorophenyl)-3-(2,4-difluorophenyl)propan-2-one
CID 106266079
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 106266339
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
CID 106267777
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 106267787
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 107538119

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone (CID 106266059) is 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone is O=C(Cc1c(F)ccc(Br)c1F)c1ccc(F)cc1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone?
The InChIKey is LOVMKLOFUYSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4O/c15-10-3-4-11(17)9(14(10)19)6-13(20)8-2-1-7(16)5-12(8)18/h1-5H,6H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone has a molecular weight of 347.11 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 106266059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).