4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one

C10H9Br2FO — CID 146010839

IUPAC4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one
SMILESO=C(CCCBr)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H9Br2FO/c11-5-1-2-10(14)7-3-4-8(12)9(13)6-7/h3-4,6H,1-2,5H2
InChIKeyVJMOVXOFDJFHCM-UHFFFAOYSA-N
MW323.99 g/mol
LogP3.95
Rot. Bonds4

About 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one

4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one (PubChem CID 146010839) has the molecular formula C10H9Br2FO and a molecular weight of 323.99 g/mol. Its IUPAC name is 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one
PubChem CID146010839
Molecular FormulaC10H9Br2FO
Molecular Weight323.99 g/mol
Exact Mass321.90
IUPAC Name4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one
SMILESO=C(CCCBr)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H9Br2FO/c11-5-1-2-10(14)7-3-4-8(12)9(13)6-7/h3-4,6H,1-2,5H2
InChIKeyVJMOVXOFDJFHCM-UHFFFAOYSA-N
XLogP3.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.99
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one 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-(4-bromo-3-fluorophenyl)-4-ethylsulfonylbutan-1-one
CID 114974614
1-(4-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-one
CID 114978332
1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
CID 24725587
5-bromo-1-(3-chloro-4-fluorophenyl)pentan-1-one
CID 146005628
1-(4-bromo-3-fluorophenyl)-3-methylbutan-1-one
CID 114962413
1-(4-bromo-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976963
1-(3-amino-4-bromophenyl)-3-bromopropan-1-one
CID 118813184
1-(3-bromo-4-fluorophenyl)pentan-1-one
CID 79736061
3-bromo-1-[3-fluoro-4-(hydroxymethyl)phenyl]propan-1-one
CID 134624843
4-amino-1-(3,4-difluorophenyl)butan-1-one
CID 82341709
1-(3,4-difluorophenyl)-4-hydroxybutan-1-one
CID 82112355
3-bromo-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-one
CID 134625407

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one?
The IUPAC name of 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one (CID 146010839) is 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one?
The canonical SMILES for 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one is O=C(CCCBr)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one?
The InChIKey is VJMOVXOFDJFHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2FO/c11-5-1-2-10(14)7-3-4-8(12)9(13)6-7/h3-4,6H,1-2,5H2.
What are the key properties of 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one?
4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one has a molecular weight of 323.99 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-bromo-3-fluorophenyl)butan-1-one is sourced from PubChem (CID 146010839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).