1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone

C14H8Br2F2O — CID 114968179

IUPAC1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Br)c1ccc(F)cc1Br
InChIInChI=1S/C14H8Br2F2O/c15-12-4-2-9(17)5-8(12)6-14(19)11-3-1-10(18)7-13(11)16/h1-5,7H,6H2
InChIKeySJISUDWKXKRPTQ-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.92
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone

1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone (PubChem CID 114968179) has the molecular formula C14H8Br2F2O and a molecular weight of 390.02 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
PubChem CID114968179
Molecular FormulaC14H8Br2F2O
Molecular Weight390.02 g/mol
Exact Mass387.89
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
SMILESO=C(Cc1cc(F)ccc1Br)c1ccc(F)cc1Br
InChIInChI=1S/C14H8Br2F2O/c15-12-4-2-9(17)5-8(12)6-14(19)11-3-1-10(18)7-13(11)16/h1-5,7H,6H2
InChIKeySJISUDWKXKRPTQ-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)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-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
CID 63528898
2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529
1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056276
[4-(2-bromo-4-fluorophenyl)-4-oxobutanoyl]oxidanium
CID 164966859
1-(4-bromo-3,5-dimethylphenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114329547
2-(2-bromo-5-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105090170
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(2-bromo-4-fluorophenyl)-5-hydroxypentane-1,4-dione
CID 146417198

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone (CID 114968179) is 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone is O=C(Cc1cc(F)ccc1Br)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone?
The InChIKey is SJISUDWKXKRPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2O/c15-12-4-2-9(17)5-8(12)6-14(19)11-3-1-10(18)7-13(11)16/h1-5,7H,6H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone?
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone has a molecular weight of 390.02 g/mol, XLogP of 4.92, 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-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone is sourced from PubChem (CID 114968179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).