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

C14H8BrClF2O — CID 114024595

IUPAC1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H8BrClF2O/c15-11-7-9(16)2-3-10(11)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7H,6H2
InChIKeyOUSDRUQQPVFFRY-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.81
Rot. Bonds3

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

1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone (PubChem CID 114024595) has the molecular formula C14H8BrClF2O and a molecular weight of 345.57 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
PubChem CID114024595
Molecular FormulaC14H8BrClF2O
Molecular Weight345.57 g/mol
Exact Mass343.94
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H8BrClF2O/c15-11-7-9(16)2-3-10(11)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7H,6H2
InChIKeyOUSDRUQQPVFFRY-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-4-chlorophenyl)-2-(3,4-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

1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 81472993
1-(2-bromo-4-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890805
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
CID 157216536
1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 114023890
2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
2-(3,4-difluorophenyl)-1-(2,3,4,6-tetrachlorophenyl)ethanone
CID 105349322

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone (CID 114024595) is 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone is O=C(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone?
The InChIKey is OUSDRUQQPVFFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClF2O/c15-11-7-9(16)2-3-10(11)14(19)6-8-1-4-12(17)13(18)5-8/h1-5,7H,6H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone?
1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone has a molecular weight of 345.57 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone is sourced from PubChem (CID 114024595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).